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

Systemtic Name: ethyl-[(1-methylpyrazol-4-yl)methyl]-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-ethyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-ethyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-ethyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-ethyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-3-20(11-14-9-18-19(2)10-14)16-12-21(13-17(16)22)25(23,24)15-7-5-4-6-8-15/h4-10,16-17,22H,3,11-13H2,1-2H3/p+1/t16-,17-/m0/s1