3-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-methoxy-benzenesulfonamide Openeye Name: 3-amino-4-methoxy-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-methoxybenzenesulfonamide IUPAC Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-methoxybenzenesulfonamide Traditional Name: 3-amino-4-methoxy-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-20-14-3-2-11(8-12(14)15)21(18,19)16-13-9-17-6-4-10(13)5-7-17/h2-3,8,10,13,16H,4-7,9,15H2,1H3/p+1/t13-/m0/s1