[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] 5-bromanylpyridine-3-carboxylate Openeye Name: [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] ester IUPAC Name: [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] ester Formula: C14H17BrN3O2+ MolecularWeight: 339.20768

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(=NOC(=O)C3=CC(=CN=C3)Br)C2

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(=NOC(=O)C3=CC(=CN=C3)Br)C2

InChI

InChI=1S/C14H16BrN3O2/c1-18-12-2-3-13(18)6-11(5-12)17-20-14(19)9-4-10(15)8-16-7-9/h4,7-8,12-13H,2-3,5-6H2,1H3/p+1/t12-,13+