3-[2-(4-methoxyphenyl)-4,5-bis(oxidanylidene)-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-methoxyphenyl)-4,5-bis(oxidanylidene)-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-(4-methoxyphenyl)-4,5-dioxo-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-(4-methoxyphenyl)-4,5-dioxo-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[2-(4-methoxyphenyl)-4,5-dioxo-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[2,3-diketo-5-(4-methoxyphenyl)-4-(2-thenoyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(C(=O)C1=O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCCN1C(C(C(=O)C1=O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N2O4S/c1-22(2)11-5-12-23-18(14-7-9-15(27-3)10-8-14)17(20(25)21(23)26)19(24)16-6-4-13-28-16/h4,6-10,13,17-18H,5,11-12H2,1-3H3/p+1