3-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-chloranyl-4-methyl-benzenesulfonamide

Systemtic Name: 3-azanyl-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-chloranyl-4-methyl-benzenesulfonamide Openeye Name: 3-amino-5-chloro-4-methyl-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide CAS Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-chloro-4-methylbenzenesulfonamide IUPAC Name: 3-amino-N-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-5-chloro-4-methylbenzenesulfonamide Traditional Name: 3-amino-5-chloro-4-methyl-N-[(3R)-quinuclidin-1-ium-3-yl]benzenesulfonamide Formula: C14H21ClN3O2S+ MolecularWeight: 330.85344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)NC2C[NH+]3CCC2CC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3)Cl

InChI

InChI=1S/C14H20ClN3O2S/c1-9-12(15)6-11(7-13(9)16)21(19,20)17-14-8-18-4-2-10(14)3-5-18/h6-7,10,14,17H,2-5,8,16H2,1H3/p+1/t14-/m0/s1