3-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(methylthio)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(methylthio)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1CCC[NH+](C1)CCC2=CC=CC=C2

Isomeric SMILES

CSCCC(=O)N[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2

InChI

InChI=1S/C17H26N2OS/c1-21-13-10-17(20)18-16-8-5-11-19(14-16)12-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,18,20)/p+1/t16-/m0/s1