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

Systemtic Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2-(phenylthio)acetamide IUPAC Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-phenylsulfanylacetamide Traditional Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(phenylthio)acetamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c25-22(18-26-21-13-5-2-6-14-21)23-20-12-8-16-24(17-20)15-7-11-19-9-3-1-4-10-19/h1-6,9-10,13-14,20H,7-8,11-12,15-18H2,(H,23,25)/p+1/t20-/m0/s1