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

Systemtic Name: 1-[2-azanylidene-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(3-methylphenoxy)propan-2-ol chloride Openeye Name: 1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(3-methylphenoxy)propan-2-ol chloride CAS Name: 1-[2-imino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazolyl]-3-(3-methylphenoxy)-2-propanol chloride IUPAC Name: 1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(3-methylphenoxy)propan-2-ol chloride Traditional Name: 1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(3-methylphenoxy)propan-2-ol chloride Formula: C23H31ClN4O3 MolecularWeight: 446.97024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCOCC4)O.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCOCC4)O.[Cl-]

InChI

InChI=1S/C23H30N4O3.ClH/c1-18-5-4-6-20(15-18)30-17-19(28)16-27-22-8-3-2-7-21(22)26(23(27)24)10-9-25-11-13-29-14-12-25;/h2-8,15,19,24,28H,9-14,16-17H2,1H3;1H