4-[(3R)-3-(4-methylpiperazine-1,4-diium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[(3R)-3-(4-methylpiperazine-1,4-diium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3R)-3-(4-methylpiperazine-1,4-diium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-3-(4-methyl-1-piperazine-1,4-diiumyl)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3R)-3-(4-methylpiperazine-1,4-diium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidino]benzoate Formula: C16H20N3O4+ MolecularWeight: 318.3477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[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)/p+1/t13-/m1/s1