4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3R)-2,5-dioxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3R)-2,5-dioxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidino]benzoate Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H20N4O4/c25-18-13-16(19(26)24(18)15-6-4-14(5-7-15)20(27)28)22-9-11-23(12-10-22)17-3-1-2-8-21-17/h1-8,16H,9-13H2,(H,27,28)/p+1/t16-/m1/s1