methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(quinolin-6-ylmethyl)azanium

Systemtic Name: methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(quinolin-6-ylmethyl)azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-methyl-(6-quinolylmethyl)ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-methyl-(6-quinolinylmethyl)ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-methyl-(quinolin-6-ylmethyl)azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-methyl-(6-quinolylmethyl)ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)N=CC=C2)C3CN(CC3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)N=CC=C2)[C@H]3CN(C[C@@H]3O)S(=O)(=O)C4=CC=CC=C4

InChI

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