1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzylpyridin-1-ium-1-yl)ethanone Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2/c1-15-21(17(3)25)16(2)23-22(15)20(26)14-24-11-9-19(10-12-24)13-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3/p+1