1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride

Systemtic Name: 1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride Openeye Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride CAS Name: 1-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-3-(3-methylphenoxy)-2-propanol chloride IUPAC Name: 1-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride Traditional Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC(=C3)C)O.[Cl-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC(=C3)C)O.[Cl-]

InChI

InChI=1S/C21H27N3O2.ClH/c1-3-4-12-23-19-10-5-6-11-20(19)24(21(23)22)14-17(25)15-26-18-9-7-8-16(2)13-18;/h5-11,13,17,22,25H,3-4,12,14-15H2,1-2H3;1H