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

Systemtic Name: 3-[(1R,5S)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(1R,5S)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-oxo-propanenitrile CAS Name: 3-[(1R,5S)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-oxopropanenitrile IUPAC Name: 3-[(1R,5S)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-oxopropanenitrile Traditional Name: 3-[(1R,5S)-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-3-keto-propionitrile Formula: C12H20N3O+ MolecularWeight: 222.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C[NH2+]C1)(CN(C2)C(=O)CC#N)C

Isomeric SMILES

C[C@@]12C[C@@](C[NH2+]C1)(CN(C2)C(=O)CC#N)C

InChI

InChI=1S/C12H19N3O/c1-11-5-12(2,7-14-6-11)9-15(8-11)10(16)3-4-13/h14H,3,5-9H2,1-2H3/p+1/t11-,12+