2-[2-[(E)-diazanylidenemethyl]-1-piperazin-1-yl-6-pyridin-3-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(E)-diazanylidenemethyl]-1-piperazin-1-yl-6-pyridin-3-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[(E)-hydrazinylidenemethyl]-1-piperazin-1-yl-6-(3-pyridyl)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[(E)-hydrazinylidenemethyl]-1-(1-piperazinyl)-6-(3-pyridinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-[(E)-hydrazinylidenemethyl]-1-piperazin-1-yl-6-pyridin-3-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[(E)-hydrazonomethyl]-1-piperazino-6-(3-pyridyl)piperidin-1-ium-1-yl]acetic acid Formula: C17H27N6O2+ MolecularWeight: 347.43528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C(C1)C2=CN=CC=C2)(CC(=O)O)N3CCNCC3)C=NN

Isomeric SMILES

C1CC([N+](C(C1)C2=CN=CC=C2)(CC(=O)O)N3CCNCC3)/C=N/N

InChI

InChI=1S/C17H26N6O2/c18-21-12-15-4-1-5-16(14-3-2-6-20-11-14)23(15,13-17(24)25)22-9-7-19-8-10-22/h2-3,6,11-12,15-16,19H,1,4-5,7-10,13,18H2/p+1/b21-12+