3-bicyclo[2.2.2]octanyl-carbamothioyl-methyl-[(E)-1-pyridin-2-ylethylideneamino]azanium

Systemtic Name: 3-bicyclo[2.2.2]octanyl-carbamothioyl-methyl-[(E)-1-pyridin-2-ylethylideneamino]azanium Openeye Name: 3-bicyclo[2.2.2]octanyl-carbamothioyl-methyl-[(E)-1-(2-pyridyl)ethylideneamino]ammonium CAS Name: 3-bicyclo[2.2.2]octanyl-carbamothioyl-methyl-[(E)-1-(2-pyridinyl)ethylideneamino]ammonium IUPAC Name: 3-bicyclo[2.2.2]octanyl-carbamothioyl-methyl-[(E)-1-pyridin-2-ylethylideneamino]azanium Traditional Name: 3-bicyclo[2.2.2]octanyl-methyl-[(E)-1-(2-pyridyl)ethylideneamino]-thiocarbamoyl-ammonium Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N[N+](C)(C1CC2CCC1CC2)C(=S)N)C3=CC=CC=N3

Isomeric SMILES

C/C(=N\[N+](C)(C1CC2CCC1CC2)C(=S)N)/C3=CC=CC=N3

InChI

InChI=1S/C17H24N4S/c1-12(15-5-3-4-10-19-15)20-21(2,17(18)22)16-11-13-6-8-14(16)9-7-13/h3-5,10,13-14,16H,6-9,11H2,1-2H3,(H-,18,22)/p+1/b20-12+