N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide Traditional Name: 3-besyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propionamide Formula: C20H31N2O4S+ MolecularWeight: 395.53614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCS(=O)(=O)C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCS(=O)(=O)C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C20H30N2O4S/c23-19(9-16-27(24,25)18-7-3-1-4-8-18)21-17-20(10-5-2-6-11-20)22-12-14-26-15-13-22/h1,3-4,7-8H,2,5-6,9-17H2,(H,21,23)/p+1