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

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol chloride Openeye Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol chloride CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-1-(3,4-dichlorophenyl)ethanol chloride IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol chloride Traditional Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol chloride Formula: C18H18Cl3N3O MolecularWeight: 398.71402

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(C3=CC(=C(C=C3)Cl)Cl)O)N.[Cl-]

Isomeric SMILES

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(C3=CC(=C(C=C3)Cl)Cl)O)N.[Cl-]

InChI

InChI=1S/C18H17Cl2N3O.ClH/c1-2-9-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-7-8-13(19)14(20)10-12;/h2-8,10,17,21,24H,1,9,11H2;1H