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

Systemtic Name: 3-[4-(2,5-dimethylphenyl)carbonyl-2,3-bis(oxidanylidene)-5-thiophen-2-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(2,5-dimethylbenzoyl)-2,3-dioxo-5-(2-thienyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[(2,5-dimethylphenyl)-oxomethyl]-2,3-dioxo-5-thiophen-2-yl-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-(2,5-dimethylbenzoyl)-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[4-(2,5-dimethylbenzoyl)-2,3-diketo-5-(2-thienyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2C(N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2C(N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=CS3

InChI

InChI=1S/C22H26N2O3S/c1-14-8-9-15(2)16(13-14)20(25)18-19(17-7-5-12-28-17)24(22(27)21(18)26)11-6-10-23(3)4/h5,7-9,12-13,18-19H,6,10-11H2,1-4H3/p+1