2-[5-[(E)-diazanylidenemethyl]-1-piperazin-1-yl-2-pyridin-2-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[5-[(E)-diazanylidenemethyl]-1-piperazin-1-yl-2-pyridin-2-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[5-[(E)-hydrazinylidenemethyl]-1-piperazin-1-yl-2-(2-pyridyl)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[5-[(E)-hydrazinylidenemethyl]-1-(1-piperazinyl)-2-(2-pyridinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[5-[(E)-hydrazinylidenemethyl]-1-piperazin-1-yl-2-pyridin-2-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[5-[(E)-hydrazonomethyl]-1-piperazino-2-(2-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+](CC1C=NN)(CC(=O)O)N2CCNCC2)C3=CC=CC=N3

Isomeric SMILES

C1CC([N+](CC1/C=N/N)(CC(=O)O)N2CCNCC2)C3=CC=CC=N3

InChI

InChI=1S/C17H26N6O2/c18-21-11-14-4-5-16(15-3-1-2-6-20-15)23(12-14,13-17(24)25)22-9-7-19-8-10-22/h1-3,6,11,14,16,19H,4-5,7-10,12-13,18H2/p+1/b21-11+