1-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride

Systemtic Name: 1-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride Openeye Name: 1-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride CAS Name: 1-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-3-(4-methoxyphenoxy)-2-propanol chloride IUPAC Name: 1-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride Traditional Name: 1-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride Formula: C24H33ClN4O3 MolecularWeight: 460.99682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCCCC4)O.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCCCC4)O.[Cl-]

InChI

InChI=1S/C24H32N4O3.ClH/c1-30-20-9-11-21(12-10-20)31-18-19(29)17-28-23-8-4-3-7-22(23)27(24(28)25)16-15-26-13-5-2-6-14-26;/h3-4,7-12,19,25,29H,2,5-6,13-18H2,1H3;1H