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

Systemtic Name: N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Openeye Name: N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide CAS Name: N-methyl-2-(methylthio)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Traditional Name: N-methyl-2-(methylthio)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Formula: C23H31N2OS+ MolecularWeight: 383.57004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C23H30N2OS/c1-24(23(26)21-14-6-7-15-22(21)27-2)20-13-9-17-25(18-20)16-8-12-19-10-4-3-5-11-19/h3-7,10-11,14-15,20H,8-9,12-13,16-18H2,1-2H3/p+1/t20-/m0/s1