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

Systemtic Name: 2-[2-[4-[(E)-diazanylidenemethyl]phenyl]-1-methyl-2-piperidin-4-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-methyl-2-(4-piperidyl)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-methyl-2-(4-piperidinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-methyl-2-piperidin-4-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[4-[(E)-hydrazonomethyl]phenyl]-1-methyl-2-(4-piperidyl)piperidin-1-ium-1-yl]acetic acid Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1(C2CCNCC2)C3=CC=C(C=C3)C=NN)CC(=O)O

Isomeric SMILES

C[N+]1(CCCCC1(C2CCNCC2)C3=CC=C(C=C3)/C=N/N)CC(=O)O

InChI

InChI=1S/C20H30N4O2/c1-24(15-19(25)26)13-3-2-10-20(24,18-8-11-22-12-9-18)17-6-4-16(5-7-17)14-23-21/h4-7,14,18,22H,2-3,8-13,15,21H2,1H3/p+1/b23-14+