(2-chlorophenyl)methyl-methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium

Systemtic Name: (2-chlorophenyl)methyl-methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-[(2-chlorophenyl)methyl]-methyl-ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-[(2-chlorophenyl)methyl]-methylammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-[(2-chlorophenyl)methyl]-methylazanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-(2-chlorobenzyl)-methyl-ammonium Formula: C18H22ClN2O3S+ MolecularWeight: 381.89688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Cl)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Cl)[C@H]2CN(C[C@@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21ClN2O3S/c1-20(11-14-7-5-6-10-16(14)19)17-12-21(13-18(17)22)25(23,24)15-8-3-2-4-9-15/h2-10,17-18,22H,11-13H2,1H3/p+1/t17-,18-/m0/s1