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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2-(phenylthio)acetamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-phenylsulfanylacetamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-(phenylthio)acetamide Formula: C20H31N2OS+ MolecularWeight: 347.53794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H30N2OS/c23-20(16-24-19-12-6-3-7-13-19)21-17-9-8-14-22(15-17)18-10-4-1-2-5-11-18/h3,6-7,12-13,17-18H,1-2,4-5,8-11,14-16H2,(H,21,23)/p+1/t17-/m0/s1