N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-4-methylsulfanyl-benzamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-4-methylsulfanyl-benzamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-4-methylsulfanyl-benzamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-4-(methylthio)benzamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-4-methylsulfanylbenzamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-4-(methylthio)benzamide Formula: C20H24ClN2OS+ MolecularWeight: 375.93536

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2OS/c1-25-19-10-6-16(7-11-19)20(24)22-18-3-2-12-23(14-18)13-15-4-8-17(21)9-5-15/h4-11,18H,2-3,12-14H2,1H3,(H,22,24)/p+1/t18-/m0/s1