[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] pyridine-4-carboxylate

Systemtic Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] pyridine-4-carboxylate Openeye Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-methoxy-4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] ester Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC(=C(C=C2)OC(=O)C3=CC=NC=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC(=C(C=C2)OC(=O)C3=CC=NC=C3)OC

InChI

InChI=1S/C19H22N4O3/c1-22-9-11-23(12-10-22)21-14-15-3-4-17(18(13-15)25-2)26-19(24)16-5-7-20-8-6-16/h3-8,13-14H,9-12H2,1-2H3/p+1/b21-14-