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

Systemtic Name: 1-[2-azanylidene-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride Openeye Name: 1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride CAS Name: 1-[2-imino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazolyl]-3-(4-methoxyphenoxy)-2-propanol chloride IUPAC Name: 1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride Traditional Name: 1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride Formula: C23H31ClN4O4 MolecularWeight: 462.96964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCOCC4)O.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCOCC4)O.[Cl-]

InChI

InChI=1S/C23H30N4O4.ClH/c1-29-19-6-8-20(9-7-19)31-17-18(28)16-27-22-5-3-2-4-21(22)26(23(27)24)11-10-25-12-14-30-15-13-25;/h2-9,18,24,28H,10-17H2,1H3;1H