(1S,2S,3S,5S)-2-cyclopropyl-1-methyl-1-oxidanidyl-5-(phenylmethyl)-3-(phenylsulfonyl)pyrrolidin-1-ium

Systemtic Name: (1S,2S,3S,5S)-2-cyclopropyl-1-methyl-1-oxidanidyl-5-(phenylmethyl)-3-(phenylsulfonyl)pyrrolidin-1-ium Openeye Name: (1S,2S,3S,5S)-3-(benzenesulfonyl)-5-benzyl-2-cyclopropyl-1-methyl-1-oxido-pyrrolidin-1-ium CAS Name: (1S,2S,3S,5S)-3-(benzenesulfonyl)-2-cyclopropyl-1-methyl-1-oxido-5-(phenylmethyl)pyrrolidin-1-ium IUPAC Name: (1S,2S,3S,5S)-3-(benzenesulfonyl)-5-benzyl-2-cyclopropyl-1-methyl-1-oxidopyrrolidin-1-ium Traditional Name: (1S,2S,3S,5S)-5-benzyl-3-besyl-2-cyclopropyl-1-methyl-1-oxido-pyrrolidin-1-ium Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(CC(C1C2CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

C[N@@+]1([C@H](C[C@@H]([C@@H]1C2CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H25NO3S/c1-22(23)18(14-16-8-4-2-5-9-16)15-20(21(22)17-12-13-17)26(24,25)19-10-6-3-7-11-19/h2-11,17-18,20-21H,12-15H2,1H3/t18-,20-,21-,22-/m0/s1