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

Systemtic Name: 2-[2-[4-[(E)-diazanylidenemethyl]phenyl]-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[4-[(E)-hydrazonomethyl]phenyl]-1-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C18H28N5O2+ MolecularWeight: 346.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O2/c19-21-13-15-4-6-16(7-5-15)17-3-1-2-12-23(17,14-18(24)25)22-10-8-20-9-11-22/h4-7,13,17,20H,1-3,8-12,14,19H2/p+1/b21-13+