(1S,2S,3S,5S)-2-cyclopropyl-1-methyl-3-(4-methylphenyl)sulfinyl-1-oxidanidyl-5-(phenylmethyl)pyrrolidin-1-ium

Systemtic Name: (1S,2S,3S,5S)-2-cyclopropyl-1-methyl-3-(4-methylphenyl)sulfinyl-1-oxidanidyl-5-(phenylmethyl)pyrrolidin-1-ium Openeye Name: (1S,2S,3S,5S)-5-benzyl-2-cyclopropyl-1-methyl-1-oxido-3-(p-tolylsulfinyl)pyrrolidin-1-ium CAS Name: (1S,2S,3S,5S)-2-cyclopropyl-1-methyl-3-(4-methylphenyl)sulfinyl-1-oxido-5-(phenylmethyl)pyrrolidin-1-ium IUPAC Name: (1S,2S,3S,5S)-5-benzyl-2-cyclopropyl-1-methyl-3-(4-methylphenyl)sulfinyl-1-oxidopyrrolidin-1-ium Traditional Name: (1S,2S,3S,5S)-5-benzyl-2-cyclopropyl-1-methyl-1-oxido-3-(p-tolylsulfinyl)pyrrolidin-1-ium Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2CC([N+](C2C3CC3)(C)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[C@H]2C[C@@H]([N@+]([C@H]2C3CC3)(C)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H27NO2S/c1-16-8-12-20(13-9-16)26(25)21-15-19(14-17-6-4-3-5-7-17)23(2,24)22(21)18-10-11-18/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3/t19-,21-,22-,23-,26?/m0/s1