2-[2-(4-tert-butylphenyl)-4,5-bis(oxidanylidene)-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-(4-tert-butylphenyl)-4,5-bis(oxidanylidene)-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-(4-tert-butylphenyl)-4,5-dioxo-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-(4-tert-butylphenyl)-4,5-dioxo-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]ethyl-diethylammonium IUPAC Name: 2-[2-(4-tert-butylphenyl)-4,5-dioxo-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-(4-tert-butylphenyl)-4,5-diketo-3-(2-thenoyl)pyrrolidino]ethyl-diethyl-ammonium Formula: C25H33N2O3S+ MolecularWeight: 441.60612

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(C(=O)C1=O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC[NH+](CC)CCN1C(C(C(=O)C1=O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H32N2O3S/c1-6-26(7-2)14-15-27-21(17-10-12-18(13-11-17)25(3,4)5)20(23(29)24(27)30)22(28)19-9-8-16-31-19/h8-13,16,20-21H,6-7,14-15H2,1-5H3/p+1