(3S)-N-[(4-methylsulfanylphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(4-methylsulfanylphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(4-methylsulfanylphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[[4-(methylthio)phenyl]methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4-methylsulfanylphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[4-(methylthio)benzyl]-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CC[NH+]3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)[C@H]2CCC(=O)N(C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C20H29N3O3S/c1-27-18-5-2-16(3-6-18)14-21-20(25)17-4-7-19(24)23(15-17)9-8-22-10-12-26-13-11-22/h2-3,5-6,17H,4,7-15H2,1H3,(H,21,25)/p+1/t17-/m0/s1