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

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-naphthalen-1-yl-ethanol chloride Openeye Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(1-naphthyl)ethanol chloride CAS Name: 2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-(1-naphthalenyl)ethanol chloride IUPAC Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-naphthalen-1-ylethanol chloride Traditional Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(1-naphthyl)ethanol chloride Formula: C26H31ClN4O MolecularWeight: 451.00354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CC5=CC=CC=C54)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC=CC5=CC=CC=C54)O.[Cl-]

InChI

InChI=1S/C26H30N4O.ClH/c27-26-29(18-17-28-15-6-1-7-16-28)23-13-4-5-14-24(23)30(26)19-25(31)22-12-8-10-20-9-2-3-11-21(20)22;/h2-5,8-14,25,27,31H,1,6-7,15-19H2;1H