1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(4-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-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)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N2O/c1-17-9-12-23(13-10-17)16-22(25)21-15-18(2)24(19(21)3)14-11-20-7-5-4-6-8-20/h4-10,12-13,15H,11,14,16H2,1-3H3/q+1