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

Systemtic Name: methyl 4-[(3S)-3-(4-methylpiperazin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 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]benzoic acid methyl ester IUPAC Name: methyl 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]benzoic acid methyl ester Formula: C17H22N3O4+ MolecularWeight: 332.37428

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-18-7-9-19(10-8-18)14-11-15(21)20(16(14)22)13-5-3-12(4-6-13)17(23)24-2/h3-6,14H,7-11H2,1-2H3/p+1/t14-/m0/s1