N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-4-methyl-benzenesulfonamide Openeye Name: 4-methyl-N-[(Z)-quinuclidin-1-ium-3-ylideneamino]benzenesulfonamide CAS Name: N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-4-methylbenzenesulfonamide IUPAC Name: N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-[(Z)-quinuclidin-1-ium-3-ylideneamino]benzenesulfonamide Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=C2C[NH+]3CCC2CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\C[NH+]3CCC2CC3

InChI

InChI=1S/C14H19N3O2S/c1-11-2-4-13(5-3-11)20(18,19)16-15-14-10-17-8-6-12(14)7-9-17/h2-5,12,16H,6-10H2,1H3/p+1/b15-14+