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

Systemtic Name: 2-[2-[4-[(E)-diazanylidenemethyl]phenyl]-2-methyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-2-methyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-2-methyl-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-2-methyl-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[4-[(E)-hydrazonomethyl]phenyl]-2-methyl-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(CCCC[N+]1(CC(=O)O)N2CCNCC2)C3=CC=C(C=C3)C=NN

Isomeric SMILES

CC1(CCCC[N+]1(CC(=O)O)N2CCNCC2)C3=CC=C(C=C3)/C=N/N

InChI

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