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

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

Systemtic Name:4-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide
Openeye Name:4-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide
CAS Name:4-(methylthio)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide
IUPAC Name:4-methylsulfanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide
Traditional Name:4-(methylthio)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide
Formula: C21H27N2OS+
MolecularWeight: 355.51688
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3


Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3


InChI

InChI=1S/C21H26N2OS/c1-25-20-11-9-18(10-12-20)21(24)22-19-8-5-14-23(16-19)15-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)/p+1/t19-/m0/s1


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