1-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride

Systemtic Name: 1-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride Openeye Name: 1-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride CAS Name: 1-(2-amino-3-propyl-1-benzimidazol-1-iumyl)-3-(4-methylphenoxy)-2-propanol chloride IUPAC Name: 1-(2-amino-3-propylbenzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride Traditional Name: 1-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol chloride Formula: C20H26ClN3O2 MolecularWeight: 375.89234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)C)O.[Cl-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)C)O.[Cl-]

InChI

InChI=1S/C20H25N3O2.ClH/c1-3-12-22-18-6-4-5-7-19(18)23(20(22)21)13-16(24)14-25-17-10-8-15(2)9-11-17;/h4-11,16,21,24H,3,12-14H2,1-2H3;1H