1-[2-(octylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide

Systemtic Name: 1-[2-(octylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 1-[2-(octylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid bromide CAS Name: 1-[2-(octylamino)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 1-[2-(octylamino)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid bromide Traditional Name: 1-[2-keto-2-(octylamino)ethyl]pyridin-1-ium-3-carboxylic acid bromide Formula: C16H25BrN2O3 MolecularWeight: 373.2853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C[N+]1=CC=CC(=C1)C(=O)O.[Br-]

Isomeric SMILES

CCCCCCCCNC(=O)C[N+]1=CC=CC(=C1)C(=O)O.[Br-]

InChI

InChI=1S/C16H24N2O3.BrH/c1-2-3-4-5-6-7-10-17-15(19)13-18-11-8-9-14(12-18)16(20)21;/h8-9,11-12H,2-7,10,13H2,1H3,(H-,17,19,20,21);1H