[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] pyridine-3-carboxylate Openeye Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] pyridine-3-carboxylate CAS Name: 3-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-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C3)OC

Isomeric SMILES

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

InChI

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