[2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate

Systemtic Name: [2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate Openeye Name: [2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazono)methyl]phenyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [2-methoxy-4-[(Z)-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NCC[NH+]2CCOCC2)OC(=O)C3CC3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=S)NCC[NH+]2CCOCC2)OC(=O)C3CC3

InChI

InChI=1S/C19H26N4O4S/c1-25-17-12-14(2-5-16(17)27-18(24)15-3-4-15)13-21-22-19(28)20-6-7-23-8-10-26-11-9-23/h2,5,12-13,15H,3-4,6-11H2,1H3,(H2,20,22,28)/p+1/b21-13-