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

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol chloride Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol chloride CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-(3,4-dichlorophenyl)ethanol chloride IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol chloride Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol chloride Formula: C19H22Cl3N3O MolecularWeight: 414.75648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2N3O.ClH/c1-2-3-10-23-16-6-4-5-7-17(16)24(19(23)22)12-18(25)13-8-9-14(20)15(21)11-13;/h4-9,11,18,22,25H,2-3,10,12H2,1H3;1H