1-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-2-one

Systemtic Name: 1-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-2-one Openeye Name: 1-(3-benzylbenzimidazol-3-ium-1-yl)propan-2-one CAS Name: 1-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]-2-propanone IUPAC Name: 1-(3-benzylbenzimidazol-3-ium-1-yl)propan-2-one Traditional Name: 1-(3-benzylbenzimidazol-3-ium-1-yl)acetone Formula: C17H17N2O+ MolecularWeight: 265.32968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C17H17N2O/c1-14(20)11-18-13-19(12-15-7-3-2-4-8-15)17-10-6-5-9-16(17)18/h2-10,13H,11-12H2,1H3/q+1