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

Systemtic Name: 4-(methylsulfonylmethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Openeye Name: 4-(methylsulfonylmethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide CAS Name: 4-(methylsulfonylmethyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-(methylsulfonylmethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Traditional Name: 4-(mesylmethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Formula: C21H33N2O3S+ MolecularWeight: 393.56332

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)[NH+]3CCCCC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)[NH+]3CCCCC3

InChI

InChI=1S/C21H32N2O3S/c1-27(25,26)16-18-8-10-19(11-9-18)20(24)22-17-21(12-4-2-5-13-21)23-14-6-3-7-15-23/h8-11H,2-7,12-17H2,1H3,(H,22,24)/p+1