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

Systemtic Name: ethyl 4-[(3R)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3R)-2,5-dioxo-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3R)-2,5-dioxo-1-phenyl-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3R)-2,5-diketo-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H22N3O4+ MolecularWeight: 332.37428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O4/c1-2-24-17(23)19-10-8-18(9-11-19)14-12-15(21)20(16(14)22)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/p+1/t14-/m1/s1