[5-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]-(1-methylpyridin-1-ium-4-yl)methanolate

Systemtic Name: [5-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]-(1-methylpyridin-1-ium-4-yl)methanolate Openeye Name: [5-(4-chlorobenzoyl)-1-methyl-pyrrol-3-yl]-(1-methylpyridin-1-ium-4-yl)methanolate CAS Name: [5-[(4-chlorophenyl)-oxomethyl]-1-methyl-3-pyrrolyl]-(1-methyl-4-pyridin-1-iumyl)methanolate IUPAC Name: [5-(4-chlorobenzoyl)-1-methylpyrrol-3-yl]-(1-methylpyridin-1-ium-4-yl)methanolate Traditional Name: [5-(4-chlorobenzoyl)-1-methyl-pyrrol-3-yl]-(1-methylpyridin-1-ium-4-yl)methanolate Formula: C19H17ClN2O2 MolecularWeight: 340.80348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)Cl)C(C3=CC=[N+](C=C3)C)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)Cl)C(C3=CC=[N+](C=C3)C)[O-]

InChI

InChI=1S/C19H17ClN2O2/c1-21-9-7-14(8-10-21)18(23)15-11-17(22(2)12-15)19(24)13-3-5-16(20)6-4-13/h3-12,18H,1-2H3