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

Systemtic Name: 3-[4-(3-methoxyphenyl)carbonyl-2,3-bis(oxidanylidene)-5-thiophen-2-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(3-methoxybenzoyl)-2,3-dioxo-5-(2-thienyl)pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[(3-methoxyphenyl)-oxomethyl]-2,3-dioxo-5-thiophen-2-yl-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-(3-methoxybenzoyl)-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[2,3-diketo-4-m-anisoyl-5-(2-thienyl)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(=CC=C2)OC)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CCCN1C(C(C(=O)C1=O)C(=O)C2=CC(=CC=C2)OC)C3=CC=CS3

InChI

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