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

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

Systemtic Name:N-methyl-2-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide
Openeye Name:N-methyl-2-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide
CAS Name:N-methyl-2-(methylthio)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide
IUPAC Name:N-methyl-2-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide
Traditional Name:N-methyl-2-(methylthio)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide
Formula: C22H29N2OS+
MolecularWeight: 369.54346
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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SC


Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SC


InChI

InChI=1S/C22H28N2OS/c1-23(22(25)20-12-6-7-13-21(20)26-2)19-11-8-15-24(17-19)16-14-18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,8,11,14-17H2,1-2H3/p+1/t19-/m0/s1


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