5-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-methoxy-benzenesulfonamide Openeye Name: 5-amino-2-methoxy-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: 5-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-methoxybenzenesulfonamide IUPAC Name: 5-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-methoxybenzenesulfonamide Traditional Name: 5-amino-2-methoxy-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)S(=O)(=O)NC2C[NH+]3CCC2CC3

Isomeric SMILES

COC1=C(C=C(C=C1)N)S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C14H21N3O3S/c1-20-13-3-2-11(15)8-14(13)21(18,19)16-12-9-17-6-4-10(12)5-7-17/h2-3,8,10,12,16H,4-7,9,15H2,1H3/p+1/t12-/m0/s1