2-(3,4-dimethylphenyl)sulfanyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]ethanamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]acetamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NC(C)C(C2=CC=CC=C2)[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N[C@H](C)[C@H](C2=CC=CC=C2)[NH+]3CCOCC3)C

InChI

InChI=1S/C23H30N2O2S/c1-17-9-10-21(15-18(17)2)28-16-22(26)24-19(3)23(20-7-5-4-6-8-20)25-11-13-27-14-12-25/h4-10,15,19,23H,11-14,16H2,1-3H3,(H,24,26)/p+1/t19-,23-/m1/s1