4-[(1R,2R)-3-methyl-1-phenyl-1-[(R)-phenylsulfinyl]butan-2-yl]morpholin-4-ium

Systemtic Name: 4-[(1R,2R)-3-methyl-1-phenyl-1-[(R)-phenylsulfinyl]butan-2-yl]morpholin-4-ium Openeye Name: 4-[(1R)-2-methyl-1-[(R)-phenyl-[(R)-phenylsulfinyl]methyl]propyl]morpholin-4-ium CAS Name: 4-[(1R,2R)-3-methyl-1-phenyl-1-[(R)-phenylsulfinyl]butan-2-yl]morpholin-4-ium IUPAC Name: 4-[(1R,2R)-3-methyl-1-phenyl-1-[(R)-phenylsulfinyl]butan-2-yl]morpholin-4-ium Traditional Name: 4-[(1R)-2-methyl-1-[(R)-phenyl-[(R)-phenylsulfinyl]methyl]propyl]morpholin-4-ium Formula: C21H28NO2S+ MolecularWeight: 358.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=CC=C1)S(=O)C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2S/c1-17(2)20(22-13-15-24-16-14-22)21(18-9-5-3-6-10-18)25(23)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3/p+1/t20-,21-,25+/m1/s1