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

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]ethanamide Openeye Name: 2-(4-methoxyphenyl)sulfanyl-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide CAS Name: 2-[(4-methoxyphenyl)thio]-N-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]acetamide IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide Traditional Name: 2-[(4-methoxyphenyl)thio]-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O3S/c1-17(23-21(25)16-28-20-10-8-19(26-2)9-11-20)22(18-6-4-3-5-7-18)24-12-14-27-15-13-24/h3-11,17,22H,12-16H2,1-2H3,(H,23,25)/p+1/t17-,22-/m1/s1