2-[3-azanyl-2-[(E)-hydroxyiminomethyl]-1-piperazin-1-yl-2-pyridin-2-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-azanyl-2-[(E)-hydroxyiminomethyl]-1-piperazin-1-yl-2-pyridin-2-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-amino-2-[(E)-hydroxyiminomethyl]-1-piperazin-1-yl-2-(2-pyridyl)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[3-amino-2-[(E)-hydroxyiminomethyl]-1-(1-piperazinyl)-2-(2-pyridinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[3-amino-2-[(E)-hydroxyiminomethyl]-1-piperazin-1-yl-2-pyridin-2-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-amino-2-[(E)-hydroximinomethyl]-1-piperazino-2-(2-pyridyl)piperidin-1-ium-1-yl]acetic acid Formula: C17H27N6O3+ MolecularWeight: 363.43468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C([N+](C1)(CC(=O)O)N2CCNCC2)(C=NO)C3=CC=CC=N3)N

Isomeric SMILES

C1CC(C([N+](C1)(CC(=O)O)N2CCNCC2)(/C=N/O)C3=CC=CC=N3)N

InChI

InChI=1S/C17H26N6O3/c18-14-4-3-11-23(12-16(24)25,22-9-7-19-8-10-22)17(14,13-21-26)15-5-1-2-6-20-15/h1-2,5-6,13-14,19H,3-4,7-12,18H2,(H-,24,25,26)/p+1/b21-13+