4-(1,3-dithiolan-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Formula: C22H33N2OS2+ MolecularWeight: 405.64022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)C3SCCS3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)C3SCCS3)[NH+]4CCCCC4

InChI

InChI=1S/C22H32N2OS2/c25-20(18-7-9-19(10-8-18)21-26-15-16-27-21)23-17-22(11-3-1-4-12-22)24-13-5-2-6-14-24/h7-10,21H,1-6,11-17H2,(H,23,25)/p+1