[4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazono)methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(Z)-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(Z)-(2-morpholin-4-ium-4-ylethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C20H24N5O3S+ MolecularWeight: 414.50126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c26-19(17-2-1-7-21-15-17)28-18-5-3-16(4-6-18)14-23-24-20(29)22-8-9-25-10-12-27-13-11-25/h1-7,14-15H,8-13H2,(H2,22,24,29)/p+1/b23-14-