Compound C23H29NO4S

hydrogen sulfate;1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperidin-1-ium

CAS: 67196-66-1

Molecular Formula	`C23H29NO4S`
Molecular Weight	415.5 g/mol
Topological Polar Surface Area	90.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	415.18173
Heavy Atoms	29
Complexity	489.0

Chemical Identifiers

CAS Number	67196-66-1
SMILES	`C[NH+]1CCCCC1CC=C2C3=CC=CC=C3CCC4=CC=CC=C42.OS(=O)(=O)[O-]`
InChIKey	`ZLLIFVSDYDWMFP-UHFFFAOYSA-N`

📖 Product Overview

Compound C23H29NO4S (CAS: 67196-66-1) is a chemical compound with molecular formula C23H29NO4S and molecular weight 415.5 g/mol. Its IUPAC systematic name is hydrogen sulfate;1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperidin-1-ium. Topological Polar Surface Area 90.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 415.18173 Heavy Atoms 29 Complexity 489.0 InChI Key: ZLLIFVSDYDWMFP-UHFFFAOYSA-N. SMILES: C[NH+]1CCCCC1CC=C2C3=CC=CC=C3CCC4=CC=CC=C42.OS(=O)(=O)[O-].

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