2-[4-(4-methoxy-2-methyl-phenyl)carbonyl-2,3-bis(oxidanylidene)-5-thiophen-2-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-(4-methoxy-2-methyl-phenyl)carbonyl-2,3-bis(oxidanylidene)-5-thiophen-2-yl-pyrrolidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-(4-methoxy-2-methyl-benzoyl)-2,3-dioxo-5-(2-thienyl)pyrrolidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(4-methoxy-2-methylphenyl)-oxomethyl]-2,3-dioxo-5-thiophen-2-yl-1-pyrrolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[4-(4-methoxy-2-methylbenzoyl)-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2,3-diketo-4-(4-methoxy-2-methyl-benzoyl)-5-(2-thienyl)pyrrolidino]ethyl-dimethyl-ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-13-12-14(27-4)7-8-15(13)19(24)17-18(16-6-5-11-28-16)23(10-9-22(2)3)21(26)20(17)25/h5-8,11-12,17-18H,9-10H2,1-4H3/p+1