ditercalinium

10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium

CAS: 82765-18-2

Molecular Formula	`C46H50N6O2+2`
Molecular Weight	718.9 g/mol
LogP	8.5
Topological Polar Surface Area	64.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	718.39954
Heavy Atoms	54
Complexity	1130.0

Chemical Identifiers

CAS Number	82765-18-2
SMILES	`COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCC(CC5)C6CCN(CC6)CC[N+]7=CC8=C(C=CC9=C8C1=C(N9)C=CC(=C1)OC)C=C7`
InChIKey	`NHUWXMNVGMRODJ-UHFFFAOYSA-P`

📖 Product Overview

ditercalinium (CAS: 82765-18-2) is a chemical compound with molecular formula C46H50N6O2+2 and molecular weight 718.9 g/mol. Its IUPAC systematic name is 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium. LogP 8.5 Topological Polar Surface Area 64.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 718.39954 Heavy Atoms 54 Complexity 1130.0 InChI Key: NHUWXMNVGMRODJ-UHFFFAOYSA-P. SMILES: COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCC(CC5)C6CCN(CC6)CC[N+]7=CC8=C(C=CC9=C8C1=C(N9)C=CC(=C1)OC)C=C7.

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