1-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-2-one chloride

Systemtic Name: 1-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-2-one chloride Openeye Name: 1-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)propan-2-one chloride CAS Name: 1-[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-2-propanone chloride IUPAC Name: 1-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)propan-2-one chloride Traditional Name: 1-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)acetone chloride Formula: C19H21ClN2O MolecularWeight: 328.83584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H21N2O.ClH/c1-14-9-18-19(10-15(14)2)21(13-20(18)11-16(3)22)12-17-7-5-4-6-8-17;/h4-10,13H,11-12H2,1-3H3;1H/q+1;/p-1