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

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(4-methylphenyl)ethanol chloride Openeye Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(p-tolyl)ethanol chloride CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-1-(4-methylphenyl)ethanol chloride IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-1-(4-methylphenyl)ethanol chloride Traditional Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(p-tolyl)ethanol chloride Formula: C19H22ClN3O MolecularWeight: 343.85048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2C3=CC=CC=C3[N+](=C2N)CC=C)O.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CN2C3=CC=CC=C3[N+](=C2N)CC=C)O.[Cl-]

InChI

InChI=1S/C19H21N3O.ClH/c1-3-12-21-16-6-4-5-7-17(16)22(19(21)20)13-18(23)15-10-8-14(2)9-11-15;/h3-11,18,20,23H,1,12-13H2,2H3;1H