N-(2-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperidine-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)isonipecotamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2O)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2O)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H28N4O3S/c24-17-4-2-1-3-16(17)21-18(25)15-5-8-23(9-6-15)19(27)20-7-10-22-11-13-26-14-12-22/h1-4,15,24H,5-14H2,(H,20,27)(H,21,25)/p+1