N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-2-phenylsulfanyl-acetamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-2-(phenylthio)acetamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-2-phenylsulfanylacetamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-2-(phenylthio)acetamide Formula: C19H30N3OS+ MolecularWeight: 348.526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H29N3OS/c1-21-12-9-17(10-13-21)22-11-5-6-16(14-22)20-19(23)15-24-18-7-3-2-4-8-18/h2-4,7-8,16-17H,5-6,9-15H2,1H3,(H,20,23)/p+1/t16-/m0/s1