4-[1-azanyl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethylidene]azaniumyloxy-4-oxidanylidene-butanoate

Systemtic Name: 4-[1-azanyl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethylidene]azaniumyloxy-4-oxidanylidene-butanoate Openeye Name: 4-[1-amino-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethylidene]ammoniooxy-4-oxo-butanoate CAS Name: 4-[1-amino-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethylidene]ammoniooxy-4-oxobutanoate IUPAC Name: 4-[1-amino-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethylidene]azaniumyloxy-4-oxobutanoate Traditional Name: 4-[1-amino-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethylidene]ammoniooxy-4-keto-butyrate Formula: C15H22N5O4+ MolecularWeight: 336.36628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=[NH+]OC(=O)CCC(=O)[O-])N)C2=CC=CC=N2

Isomeric SMILES

C1CN(CC[NH+]1CC(=[NH+]OC(=O)CCC(=O)[O-])N)C2=CC=CC=N2

InChI

InChI=1S/C15H21N5O4/c16-12(18-24-15(23)5-4-14(21)22)11-19-7-9-20(10-8-19)13-3-1-2-6-17-13/h1-3,6H,4-5,7-11H2,(H2,16,18)(H,21,22)/p+1