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

Systemtic Name: 3,4-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide Traditional Name: 3,4-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-16-8-9-19(14-17(16)2)26(23,24)21-20(18-6-4-3-5-7-18)15-22-10-12-25-13-11-22/h3-9,14,20-21H,10-13,15H2,1-2H3/p+1/t20-/m1/s1