ethyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: ethyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-ethyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-ethyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-ethyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-ethyl-(2-pyrazol-1-ylethyl)ammonium Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C=CC=N1)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CCN1C=CC=N1)[C@H]2CN(C[C@@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4O3S/c1-2-19(11-12-20-10-6-9-18-20)16-13-21(14-17(16)22)25(23,24)15-7-4-3-5-8-15/h3-10,16-17,22H,2,11-14H2,1H3/p+1/t16-,17-/m0/s1