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

Systemtic Name: 2-[2-[4-[(E)-diazanylidenemethyl]phenyl]-1-(phenylmethyl)-2-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-[4-[(E)-hydrazinylidenemethyl]phenyl]-2-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-(phenylmethyl)-2-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[1-benzyl-2-[4-[(E)-hydrazinylidenemethyl]phenyl]-2-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-benzyl-2-[4-[(E)-hydrazonomethyl]phenyl]-2-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C25H34N5O2+ MolecularWeight: 436.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)(C2=CC=C(C=C2)C=NN)N3CCNCC3)(CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1CC[N+](C(C1)(C2=CC=C(C=C2)/C=N/N)N3CCNCC3)(CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H33N5O2/c26-28-18-21-8-10-23(11-9-21)25(29-15-13-27-14-16-29)12-4-5-17-30(25,20-24(31)32)19-22-6-2-1-3-7-22/h1-3,6-11,18,27H,4-5,12-17,19-20,26H2/p+1/b28-18+