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

Systemtic Name: methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(thiophen-3-ylmethyl)azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-methyl-(3-thenyl)ammonium Formula: C16H21N2O3S2+ MolecularWeight: 353.47954

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CSC=C1)[C@H]2CN(C[C@@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N2O3S2/c1-17(9-13-7-8-22-12-13)15-10-18(11-16(15)19)23(20,21)14-5-3-2-4-6-14/h2-8,12,15-16,19H,9-11H2,1H3/p+1/t15-,16-/m0/s1