Quinolinium, 1-methyl-6-(p-((1-methylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate

bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide

CAS: 18519-58-9

Molecular Formula	`C44H42N4O8S2`
Molecular Weight	819.0 g/mol
Topological Polar Surface Area	197.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	818.2444
Heavy Atoms	58
Complexity	944.0

Chemical Identifiers

CAS Number	18519-58-9
SMILES	`CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)C`
InChIKey	`FAOLANUNFJKASJ-UHFFFAOYSA-N`

📖 Product Overview

Quinolinium, 1-methyl-6-(p-((1-methylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate (CAS: 18519-58-9) is a chemical compound with molecular formula C44H42N4O8S2 and molecular weight 819.0 g/mol. Its IUPAC systematic name is bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide. Topological Polar Surface Area 197.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 818.2444 Heavy Atoms 58 Complexity 944.0 InChI Key: FAOLANUNFJKASJ-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)C.

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