4-[(1R,5S)-1,5-dimethyl-9-oxidanylidene-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(1R,5S)-1,5-dimethyl-9-oxidanylidene-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(1R,5S)-1,5-dimethyl-9-oxo-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-4-oxo-butanoate CAS Name: 4-[(1R,5S)-1,5-dimethyl-9-oxo-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-4-oxobutanoate IUPAC Name: 4-[(1R,5S)-1,5-dimethyl-9-oxo-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(1R,5S)-9-keto-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]butyrate Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC12C[NH2+]CC(C1=O)(CN(C2)C(=O)CCC(=O)[O-])C

Isomeric SMILES

C[C@]12C[NH2+]C[C@](C1=O)(CN(C2)C(=O)CCC(=O)[O-])C

InChI

InChI=1S/C13H20N2O4/c1-12-5-14-6-13(2,11(12)19)8-15(7-12)9(16)3-4-10(17)18/h14H,3-8H2,1-2H3,(H,17,18)/t12-,13+