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

Systemtic Name: dimethyl-[3-[2-(4-methylphenyl)-4,5-bis(oxidanylidene)-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]propyl]azanium Openeye Name: 3-[2,3-dioxo-5-(p-tolyl)-4-(thiophene-2-carbonyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[2-(4-methylphenyl)-4,5-dioxo-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-(4-methylphenyl)-4,5-dioxo-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]propyl]azanium Traditional Name: 3-[2,3-diketo-5-(p-tolyl)-4-(2-thenoyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCC[NH+](C)C)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCC[NH+](C)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O3S/c1-14-7-9-15(10-8-14)18-17(19(24)16-6-4-13-27-16)20(25)21(26)23(18)12-5-11-22(2)3/h4,6-10,13,17-18H,5,11-12H2,1-3H3/p+1