N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-(diethylsulfamoyl)benzamide

Systemtic Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-(diethylsulfamoyl)benzamide Openeye Name: 4-(diethylsulfamoyl)-N-[(3R)-quinuclidin-1-ium-3-yl]benzamide CAS Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-(diethylsulfamoyl)benzamide IUPAC Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-(diethylsulfamoyl)benzamide Traditional Name: 4-(diethylsulfamoyl)-N-[(3R)-quinuclidin-1-ium-3-yl]benzamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2C[NH+]3CCC2CC3

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-3-21(4-2)25(23,24)16-7-5-15(6-8-16)18(22)19-17-13-20-11-9-14(17)10-12-20/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,19,22)/p+1/t17-/m0/s1