ethyl 4-[1-(3,4-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[1-(3,4-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[1-(3,4-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[1-(3,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[1-(3,4-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C19H25N3O4/c1-4-26-19(25)21-9-7-20(8-10-21)16-12-17(23)22(18(16)24)15-6-5-13(2)14(3)11-15/h5-6,11,16H,4,7-10,12H2,1-3H3/p+1