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

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-phenyl-ethanol chloride Openeye Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-phenyl-ethanol chloride CAS Name: 2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-phenylethanol chloride IUPAC Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol chloride Traditional Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-phenyl-ethanol chloride Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C22H28N4O.ClH/c23-22-25(16-15-24-13-7-2-8-14-24)19-11-5-6-12-20(19)26(22)17-21(27)18-9-3-1-4-10-18;/h1,3-6,9-12,21,23,27H,2,7-8,13-17H2;1H