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

Systemtic Name: 2-[2-[4-[(E)-diazanylidenemethyl]phenyl]-1-methyl-2-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-methyl-2-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-methyl-2-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-methyl-2-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[4-[(E)-hydrazonomethyl]phenyl]-1-methyl-2-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C19H30N5O2+ MolecularWeight: 360.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1(C2=CC=C(C=C2)C=NN)N3CCNCC3)CC(=O)O

Isomeric SMILES

C[N+]1(CCCCC1(C2=CC=C(C=C2)/C=N/N)N3CCNCC3)CC(=O)O

InChI

InChI=1S/C19H29N5O2/c1-24(15-18(25)26)13-3-2-8-19(24,23-11-9-21-10-12-23)17-6-4-16(5-7-17)14-22-20/h4-7,14,21H,2-3,8-13,15,20H2,1H3/p+1/b22-14+