(1S,2S,3S,5S)-2-(furan-2-yl)-1,5-dimethyl-3-(4-methylphenyl)sulfinyl-1-oxidanidyl-pyrrolidin-1-ium

Systemtic Name: (1S,2S,3S,5S)-2-(furan-2-yl)-1,5-dimethyl-3-(4-methylphenyl)sulfinyl-1-oxidanidyl-pyrrolidin-1-ium Openeye Name: (1S,2S,3S,5S)-2-(2-furyl)-1,5-dimethyl-1-oxido-3-(p-tolylsulfinyl)pyrrolidin-1-ium CAS Name: (1S,2S,3S,5S)-2-(2-furanyl)-1,5-dimethyl-3-(4-methylphenyl)sulfinyl-1-oxidopyrrolidin-1-ium IUPAC Name: (1S,2S,3S,5S)-2-(furan-2-yl)-1,5-dimethyl-3-(4-methylphenyl)sulfinyl-1-oxidopyrrolidin-1-ium Traditional Name: (1S,2S,3S,5S)-2-(2-furyl)-1,5-dimethyl-1-oxido-3-(p-tolylsulfinyl)pyrrolidin-1-ium Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C([N+]1(C)[O-])C2=CC=CO2)S(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H]([N@@+]1(C)[O-])C2=CC=CO2)S(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H21NO3S/c1-12-6-8-14(9-7-12)22(20)16-11-13(2)18(3,19)17(16)15-5-4-10-21-15/h4-10,13,16-17H,11H2,1-3H3/t13-,16-,17-,18-,22?/m0/s1