3-[(1R,5S)-1,5-dimethyl-9-oxidanyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[(1R,5S)-1,5-dimethyl-9-oxidanyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(1R,5S)-9-hydroxy-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-oxo-propanenitrile CAS Name: 3-[(1R,5S)-9-hydroxy-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-oxopropanenitrile IUPAC Name: 3-[(1R,5S)-9-hydroxy-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-oxopropanenitrile Traditional Name: 3-[(1R,5S)-9-hydroxy-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-keto-propionitrile Formula: C12H20N3O2+ MolecularWeight: 238.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC12C[NH2+]CC(C1O)(CN(C2)C(=O)CC#N)C

Isomeric SMILES

C[C@]12C[NH2+]C[C@](C1O)(CN(C2)C(=O)CC#N)C

InChI

InChI=1S/C12H19N3O2/c1-11-5-14-6-12(2,10(11)17)8-15(7-11)9(16)3-4-13/h10,14,17H,3,5-8H2,1-2H3/p+1/t10?,11-,12+