4-[(3S)-3-(4-methylpiperazin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[(3S)-3-(4-methylpiperazin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3S)-3-(4-methylpiperazin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-(4-methyl-1-piperazin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3S)-3-(4-methylpiperazin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-2,5-diketo-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidino]benzoate Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-17-6-8-18(9-7-17)13-10-14(20)19(15(13)21)12-4-2-11(3-5-12)16(22)23/h2-5,13H,6-10H2,1H3,(H,22,23)/t13-/m0/s1