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

Systemtic Name: ethyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-ethyl-(4-pyridylmethyl)ammonium Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-2-20(12-15-8-10-19-11-9-15)17-13-21(14-18(17)22)25(23,24)16-6-4-3-5-7-16/h3-11,17-18,22H,2,12-14H2,1H3/p+1/t17-,18-/m0/s1