methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-[(3-propyl-1H-pyrazol-5-yl)methyl]azanium

Systemtic Name: methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-[(3-propyl-1H-pyrazol-5-yl)methyl]azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]ammonium Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=C1)C[NH+](C)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NNC(=C1)C[NH+](C)[C@H]2CN(C[C@@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H26N4O3S/c1-3-7-14-10-15(20-19-14)11-21(2)17-12-22(13-18(17)23)26(24,25)16-8-5-4-6-9-16/h4-6,8-10,17-18,23H,3,7,11-13H2,1-2H3,(H,19,20)/p+1/t17-,18-/m0/s1