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

Systemtic Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-(1-piperidylsulfonyl)-N-[(3R)-quinuclidin-1-ium-3-yl]benzamide CAS Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-piperidinosulfonyl-N-[(3R)-quinuclidin-1-ium-3-yl]benzamide Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3C[NH+]4CCC3CC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@H]3C[NH+]4CCC3CC4

InChI

InChI=1S/C19H27N3O3S/c23-19(20-18-14-21-12-8-15(18)9-13-21)16-4-6-17(7-5-16)26(24,25)22-10-2-1-3-11-22/h4-7,15,18H,1-3,8-14H2,(H,20,23)/p+1/t18-/m0/s1