2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(4-ethoxyphenyl)ethanol chloride

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(4-ethoxyphenyl)ethanol chloride Openeye Name: 1-(4-ethoxyphenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanol chloride CAS Name: 1-(4-ethoxyphenyl)-2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]ethanol chloride IUPAC Name: 1-(4-ethoxyphenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanol chloride Traditional Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-p-phenetyl-ethanol chloride Formula: C24H33ClN4O2 MolecularWeight: 444.99742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCCCC4)O.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCCCC4)O.[Cl-]

InChI

InChI=1S/C24H32N4O2.ClH/c1-2-30-20-12-10-19(11-13-20)23(29)18-28-22-9-5-4-8-21(22)27(24(28)25)17-16-26-14-6-3-7-15-26;/h4-5,8-13,23,25,29H,2-3,6-7,14-18H2,1H3;1H