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

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone Formula: C21H22ClN2O+ MolecularWeight: 353.86518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H22ClN2O/c1-15-8-10-23(11-9-15)14-21(25)19-12-16(2)24(17(19)3)13-18-6-4-5-7-20(18)22/h4-12H,13-14H2,1-3H3/q+1