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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(CC[N+]2(CC(=O)O)N3CCNCC3)C=NN

Isomeric SMILES

CC1=CC=CC=C1C2CC(CC[N+]2(CC(=O)O)N3CCNCC3)/C=N/N

InChI

InChI=1S/C19H29N5O2/c1-15-4-2-3-5-17(15)18-12-16(13-22-20)6-11-24(18,14-19(25)26)23-9-7-21-8-10-23/h2-5,13,16,18,21H,6-12,14,20H2,1H3/p+1/b22-13+