[3-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]phenyl]methylphosphonic acid bromide

Systemtic Name: [3-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]phenyl]methylphosphonic acid bromide Openeye Name: [3-[(3-carbamoylpyridin-1-ium-1-yl)methyl]phenyl]methylphosphonic acid bromide CAS Name: [3-[(3-carbamoyl-1-pyridin-1-iumyl)methyl]phenyl]methylphosphonic acid bromide IUPAC Name: [3-[(3-carbamoylpyridin-1-ium-1-yl)methyl]phenyl]methylphosphonic acid bromide Traditional Name: [3-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzyl]phosphonic acid bromide Formula: C14H16BrN2O4P MolecularWeight: 387.165601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CP(=O)(O)O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)CP(=O)(O)O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

InChI

InChI=1S/C14H15N2O4P.BrH/c15-14(17)13-5-2-6-16(9-13)8-11-3-1-4-12(7-11)10-21(18,19)20;/h1-7,9H,8,10H2,(H3-,15,17,18,19,20);1H