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

Systemtic Name: 2-[3-azanyl-2-[(E)-hydroxyiminomethyl]-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-amino-2-[(E)-hydroxyiminomethyl]-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[3-amino-2-[(E)-hydroxyiminomethyl]-2-phenyl-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[3-amino-2-[(E)-hydroxyiminomethyl]-2-phenyl-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-amino-2-[(E)-hydroximinomethyl]-2-phenyl-1-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C18H28N5O3+ MolecularWeight: 362.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3/c19-16-7-4-12-23(13-17(24)25,22-10-8-20-9-11-22)18(16,14-21-26)15-5-2-1-3-6-15/h1-3,5-6,14,16,20H,4,7-13,19H2,(H-,24,25,26)/p+1/b21-14+