1-[3-(1-methylpyridin-1-ium-2-yl)sulfanyl-4-oxidanylidene-4-phenyl-butanoyl]oxypyrrole-2-carboxylic acid

Systemtic Name: 1-[3-(1-methylpyridin-1-ium-2-yl)sulfanyl-4-oxidanylidene-4-phenyl-butanoyl]oxypyrrole-2-carboxylic acid Openeye Name: 1-[3-(1-methylpyridin-1-ium-2-yl)sulfanyl-4-oxo-4-phenyl-butanoyl]oxypyrrole-2-carboxylic acid CAS Name: 1-[3-[(1-methyl-2-pyridin-1-iumyl)thio]-1,4-dioxo-4-phenylbutoxy]-2-pyrrolecarboxylic acid IUPAC Name: 1-[3-(1-methylpyridin-1-ium-2-yl)sulfanyl-4-oxo-4-phenylbutanoyl]oxypyrrole-2-carboxylic acid Traditional Name: 1-[4-keto-3-[(1-methylpyridin-1-ium-2-yl)thio]-4-phenyl-butanoyl]oxypyrrole-2-carboxylic acid Formula: C21H19N2O5S+ MolecularWeight: 411.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SC(CC(=O)ON2C=CC=C2C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=CC=C1SC(CC(=O)ON2C=CC=C2C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-22-12-6-5-11-18(22)29-17(20(25)15-8-3-2-4-9-15)14-19(24)28-23-13-7-10-16(23)21(26)27/h2-13,17H,14H2,1H3/p+1