2-methyl-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)pyrazole-3-carboxamide Openeye Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)pyrazole-3-carboxamide CAS Name: 2-methyl-N-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)pyrazole-3-carboxamide Traditional Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)pyrazole-3-carboxamide Formula: C13H22N5O2S+ MolecularWeight: 312.41108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C13H21N5O2S/c1-17-11(3-5-15-17)12(19)16-13(21)14-4-2-6-18-7-9-20-10-8-18/h3,5H,2,4,6-10H2,1H3,(H2,14,16,19,21)/p+1