methyl 2-[3-[(phenylmethylidene)amino]pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: methyl 2-[3-[(phenylmethylidene)amino]pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: methyl 2-[3-(benzylideneamino)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-[(phenylmethylene)amino]-1-pyridin-1-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[3-(benzylideneamino)pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-(benzalamino)pyridin-1-ium-1-yl]acetic acid methyl ester bromide Formula: C15H15BrN2O2 MolecularWeight: 335.1958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=CC(=C1)N=CC2=CC=CC=C2.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CC=CC(=C1)N=CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H15N2O2.BrH/c1-19-15(18)12-17-9-5-8-14(11-17)16-10-13-6-3-2-4-7-13;/h2-11H,12H2,1H3;1H/q+1;/p-1