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

Systemtic Name: 2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(methylthio)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(methylthio)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]acetamide Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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