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

Systemtic Name: ethyl 4-[(3S)-2,5-bis(oxidanylidene)-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-2,5-dioxo-1-(4-phenoxyphenyl)-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-2,5-diketo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H26N3O5+ MolecularWeight: 424.46964

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)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O5/c1-2-30-23(29)25-14-12-24(13-15-25)20-16-21(27)26(22(20)28)17-8-10-19(11-9-17)31-18-6-4-3-5-7-18/h3-11,20H,2,12-16H2,1H3/p+1/t20-/m0/s1