1-(6-methylpyridin-1-ium-2-yl)-5-(3-phenoxyphenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2,3-dione

Systemtic Name: 1-(6-methylpyridin-1-ium-2-yl)-5-(3-phenoxyphenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2,3-dione Openeye Name: 1-(6-methylpyridin-1-ium-2-yl)-5-(3-phenoxyphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione CAS Name: 1-(6-methyl-2-pyridin-1-iumyl)-4-[oxo(thiophen-2-yl)methyl]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: 1-(6-methylpyridin-1-ium-2-yl)-5-(3-phenoxyphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione Traditional Name: 1-(6-methylpyridin-1-ium-2-yl)-5-(3-phenoxyphenyl)-4-(2-thenoyl)pyrrolidine-2,3-quinone Formula: C27H21N2O4S+ MolecularWeight: 469.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2C(C(C(=O)C2=O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2C(C(C(=O)C2=O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H20N2O4S/c1-17-8-5-14-22(28-17)29-24(23(26(31)27(29)32)25(30)21-13-7-15-34-21)18-9-6-12-20(16-18)33-19-10-3-2-4-11-19/h2-16,23-24H,1H3/p+1