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

Systemtic Name: methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(pyrimidin-4-ylmethyl)azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-methyl-(4-pyrimidylmethyl)ammonium Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-19(9-13-7-8-17-12-18-13)15-10-20(11-16(15)21)24(22,23)14-5-3-2-4-6-14/h2-8,12,15-16,21H,9-11H2,1H3/p+1/t15-,16-/m0/s1