N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-besyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]propionamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c24-21(10-15-28(25,26)20-8-2-1-3-9-20)22-16-18-6-4-5-7-19(18)17-23-11-13-27-14-12-23/h1-9H,10-17H2,(H,22,24)/p+1