3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide Traditional Name: 3,4-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H28N2O3S/c1-16-4-7-19(8-5-16)21(15-23-10-12-26-13-11-23)22-27(24,25)20-9-6-17(2)18(3)14-20/h4-9,14,21-22H,10-13,15H2,1-3H3/p+1/t21-/m0/s1