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

Systemtic Name: 2-[2-[4-[(E)-diazanylidenemethyl]phenyl]-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[2-[4-[(E)-hydrazonomethyl]phenyl]-1-piperazino-piperidin-1-ium-1-yl]acetate Formula: C18H27N5O2 MolecularWeight: 345.43928

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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/b21-13+