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

Systemtic Name: (3S)-N-(2-methylsulfanylethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-methylsulfanylethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(methylthio)ethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methylsulfanylethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[2-(methylthio)ethyl]-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C15H28N3O3S+ MolecularWeight: 330.46612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O3S/c1-22-11-4-16-15(20)13-2-3-14(19)18(12-13)6-5-17-7-9-21-10-8-17/h13H,2-12H2,1H3,(H,16,20)/p+1/t13-/m0/s1