8-(3-aminocarbonylpyridin-1-ium-1-yl)octylphosphonic acid bromide

Systemtic Name: 8-(3-aminocarbonylpyridin-1-ium-1-yl)octylphosphonic acid bromide Openeye Name: 8-(3-carbamoylpyridin-1-ium-1-yl)octylphosphonic acid bromide CAS Name: 8-(3-carbamoyl-1-pyridin-1-iumyl)octylphosphonic acid bromide IUPAC Name: 8-(3-carbamoylpyridin-1-ium-1-yl)octylphosphonic acid bromide Traditional Name: 8-(3-carbamoylpyridin-1-ium-1-yl)octylphosphonic acid bromide Formula: C14H24BrN2O4P MolecularWeight: 395.229121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N2O4P.BrH/c15-14(17)13-8-7-10-16(12-13)9-5-3-1-2-4-6-11-21(18,19)20;/h7-8,10,12H,1-6,9,11H2,(H3-,15,17,18,19,20);1H