[2,6-dimethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] ethanoate

Systemtic Name: [2,6-dimethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] ethanoate Openeye Name: [2,6-dimethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazono)methyl]phenyl] acetate CAS Name: acetic acid [2,6-dimethoxy-4-[(Z)-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] acetate Traditional Name: acetic acid [2,6-dimethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C18H27N4O5S+ MolecularWeight: 411.49578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=S)NCC[NH+]2CCOCC2)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)/C=N\NC(=S)NCC[NH+]2CCOCC2)OC

InChI

InChI=1S/C18H26N4O5S/c1-13(23)27-17-15(24-2)10-14(11-16(17)25-3)12-20-21-18(28)19-4-5-22-6-8-26-9-7-22/h10-12H,4-9H2,1-3H3,(H2,19,21,28)/p+1/b20-12-