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

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-(benzothiophen-2-ylmethyl)-methyl-ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-(1-benzothiophen-2-ylmethyl)-methylammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-(1-benzothiophen-2-ylmethyl)-methylazanium Traditional Name: benzothiophen-2-ylmethyl-[(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-methyl-ammonium Formula: C20H23N2O3S2+ MolecularWeight: 403.53822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2S1)C3CN(CC3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2S1)[C@H]3CN(C[C@@H]3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H22N2O3S2/c1-21(12-16-11-15-7-5-6-10-20(15)26-16)18-13-22(14-19(18)23)27(24,25)17-8-3-2-4-9-17/h2-11,18-19,23H,12-14H2,1H3/p+1/t18-,19-/m0/s1