4-(2-hydroxyphenyl)carbonyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-1-carbothioamide

Systemtic Name: 4-(2-hydroxyphenyl)carbonyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-1-carbothioamide Openeye Name: 4-(2-hydroxybenzoyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-1-carbothioamide CAS Name: 4-[(2-hydroxyphenyl)-oxomethyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-1-pyrazolecarbothioamide IUPAC Name: 4-(2-hydroxybenzoyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-salicyloyl-pyrazole-1-carbothioamide Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N2C=C(C=N2)C(=O)C3=CC=CC=C3O

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N2C=C(C=N2)C(=O)C3=CC=CC=C3O

InChI

InChI=1S/C17H20N4O3S/c22-15-4-2-1-3-14(15)16(23)13-11-19-21(12-13)17(25)18-5-6-20-7-9-24-10-8-20/h1-4,11-12,22H,5-10H2,(H,18,25)/p+1