methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(quinolin-5-ylmethyl)azanium

Systemtic Name: methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(quinolin-5-ylmethyl)azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-methyl-(5-quinolylmethyl)ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-methyl-(5-quinolinylmethyl)ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-methyl-(quinolin-5-ylmethyl)azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-methyl-(5-quinolylmethyl)ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C2C=CC=NC2=CC=C1)C3CN(CC3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=C2C=CC=NC2=CC=C1)[C@H]3CN(C[C@@H]3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c1-23(13-16-7-5-11-19-18(16)10-6-12-22-19)20-14-24(15-21(20)25)28(26,27)17-8-3-2-4-9-17/h2-12,20-21,25H,13-15H2,1H3/p+1/t20-,21-/m0/s1