1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3-phenylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3-phenylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3-phenylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3-phenyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3-phenylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3-phenylpyridin-1-ium-1-yl)ethanone Formula: C21H21N2O2+ MolecularWeight: 333.40364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2/c1-14-20(16(3)24)15(2)22-21(14)19(25)13-23-11-7-10-18(12-23)17-8-5-4-6-9-17/h4-12H,13H2,1-3H3/p+1