[4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazono)methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(Z)-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(Z)-(3-morpholin-4-ium-4-ylpropanoylhydrazono)methyl]phenyl] ester Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCC(=O)N/N=C\C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4O4/c25-19(7-9-24-10-12-27-13-11-24)23-22-14-16-3-5-18(6-4-16)28-20(26)17-2-1-8-21-15-17/h1-6,8,14-15H,7,9-13H2,(H,23,25)/p+1/b22-14-