(3S)-N-(2-methylsulfanylethyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-methylsulfanylethyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-methylsulfanylethyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(methylthio)ethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methylsulfanylethyl)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[2-(methylthio)ethyl]-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C16H30N3O3S+ MolecularWeight: 344.4927

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1CCC(=O)N(C1)CCC[NH+]2CCOCC2

Isomeric SMILES

CSCCNC(=O)[C@H]1CCC(=O)N(C1)CCC[NH+]2CCOCC2

InChI

InChI=1S/C16H29N3O3S/c1-23-12-5-17-16(21)14-3-4-15(20)19(13-14)7-2-6-18-8-10-22-11-9-18/h14H,2-13H2,1H3,(H,17,21)/p+1/t14-/m0/s1