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

Systemtic Name: 3-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: 3-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: 3-(methylthio)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: 3-(methylthio)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C18H29N2OS+ MolecularWeight: 321.50066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1CCC[NH+](C1)CCCC2=CC=CC=C2

Isomeric SMILES

CSCCC(=O)N[C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2

InChI

InChI=1S/C18H28N2OS/c1-22-14-11-18(21)19-17-10-6-13-20(15-17)12-5-9-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,19,21)/p+1/t17-/m0/s1