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

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-(4-propyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Formula: C23H26ClN2O+ MolecularWeight: 381.91834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C23H26ClN2O/c1-4-7-19-10-12-25(13-11-19)16-23(27)21-14-17(2)26(18(21)3)15-20-8-5-6-9-22(20)24/h5-6,8-14H,4,7,15-16H2,1-3H3/q+1