2-[4-azanyl-2-[(E)-hydroxyiminomethyl]-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-azanyl-2-[(E)-hydroxyiminomethyl]-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-amino-2-[(E)-hydroxyiminomethyl]-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-amino-2-[(E)-hydroxyiminomethyl]-2-phenyl-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-amino-2-[(E)-hydroxyiminomethyl]-2-phenyl-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-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:

C1C[N+](C(CC1N)(C=NO)C2=CC=CC=C2)(CC(=O)O)N3CCNCC3

Isomeric SMILES

C1C[N+](C(CC1N)(/C=N/O)C2=CC=CC=C2)(CC(=O)O)N3CCNCC3

InChI

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