2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanone

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanone Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC=C)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC=C)N

InChI

InChI=1S/C20H21N3O/c1-4-11-22-17-7-5-6-8-18(17)23(20(22)21)13-19(24)16-12-14(2)9-10-15(16)3/h4-10,12,21H,1,11,13H2,2-3H3/p+1