3-(4-chlorophenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(4-chlorophenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-(4-chlorophenyl)sulfonyl-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(4-chlorophenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(4-chlorophenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C21H32ClN2O3S+ MolecularWeight: 428.00838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

InChI

InChI=1S/C21H31ClN2O3S/c22-18-7-9-19(10-8-18)28(26,27)16-11-20(25)23-17-21(12-3-1-4-13-21)24-14-5-2-6-15-24/h7-10H,1-6,11-17H2,(H,23,25)/p+1