N-(2-hydroxyphenyl)-1-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperidine-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)isonipecotamide Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c25-18-5-2-1-4-17(18)22-19(26)16-6-10-24(11-7-16)20(28)21-8-3-9-23-12-14-27-15-13-23/h1-2,4-5,16,25H,3,6-15H2,(H,21,28)(H,22,26)/p+1