4-methylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-methylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Openeye Name: 4-methylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide CAS Name: 4-methylsulfonyl-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-methylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Traditional Name: 4-mesyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Formula: C20H31N2O3S+ MolecularWeight: 379.53674

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2(CCCCC2)[NH+]3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2(CCCCC2)[NH+]3CCCCC3

InChI

InChI=1S/C20H30N2O3S/c1-26(24,25)18-10-8-17(9-11-18)19(23)21-16-20(12-4-2-5-13-20)22-14-6-3-7-15-22/h8-11H,2-7,12-16H2,1H3,(H,21,23)/p+1