2-[1-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)pyrrol-1-ium-1-yl]benzoic acid

Systemtic Name: 2-[1-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)pyrrol-1-ium-1-yl]benzoic acid Openeye Name: 2-[1-(3-carbamoyl-4,5-dimethyl-2-thienyl)pyrrol-1-ium-1-yl]benzoic acid CAS Name: 2-[1-(3-carbamoyl-4,5-dimethyl-2-thiophenyl)-1-pyrrol-1-iumyl]benzoic acid IUPAC Name: 2-[1-(3-carbamoyl-4,5-dimethylthiophen-2-yl)pyrrol-1-ium-1-yl]benzoic acid Traditional Name: 2-[1-(3-carbamoyl-4,5-dimethyl-2-thienyl)pyrrol-1-ium-1-yl]benzoic acid Formula: C18H17N2O3S+ MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)[N+]2(C=CC=C2)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)[N+]2(C=CC=C2)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C18H16N2O3S/c1-11-12(2)24-17(15(11)16(19)21)20(9-5-6-10-20)14-8-4-3-7-13(14)18(22)23/h3-10H,1-2H3,(H2-,19,21,22,23)/p+1