N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Formula: C23H31N2OS+ MolecularWeight: 383.57004

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCC(C1)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC[NH+]1CCC[C@@H](C1)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2OS/c1-27-16-6-15-25-14-5-7-19(18-25)17-24-23(26)22-12-10-21(11-13-22)20-8-3-2-4-9-20/h2-4,8-13,19H,5-7,14-18H2,1H3,(H,24,26)/p+1/t19-/m1/s1