1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone Formula: C22H25N2O+ MolecularWeight: 333.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C22H25N2O/c1-15-8-10-23(11-9-15)14-22(25)21-13-18(4)24(19(21)5)20-7-6-16(2)17(3)12-20/h6-13H,14H2,1-5H3/q+1