2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanol chloride

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanol chloride Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanol chloride CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-(4-methoxyphenyl)ethanol chloride IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanol chloride Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanol chloride Formula: C20H26ClN3O2 MolecularWeight: 375.89234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC=C(C=C3)OC)O.[Cl-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC=C(C=C3)OC)O.[Cl-]

InChI

InChI=1S/C20H25N3O2.ClH/c1-3-4-13-22-17-7-5-6-8-18(17)23(20(22)21)14-19(24)15-9-11-16(25-2)12-10-15;/h5-12,19,21,24H,3-4,13-14H2,1-2H3;1H