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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-methylsulfanyl-benzamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-methylsulfanyl-benzamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-4-(methylthio)benzamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-methylsulfanylbenzamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(methylthio)benzamide Formula: C20H31N2OS+ MolecularWeight: 347.53794

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C20H30N2OS/c1-24-19-12-10-16(11-13-19)20(23)21-17-7-6-14-22(15-17)18-8-4-2-3-5-9-18/h10-13,17-18H,2-9,14-15H2,1H3,(H,21,23)/p+1/t17-/m0/s1