(1-methylpyridin-1-ium-3-yl)-phenyl-methanone; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; dibromide

Systemtic Name: (1-methylpyridin-1-ium-3-yl)-phenyl-methanone; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; dibromide Openeye Name: (1-methylpyridin-1-ium-3-yl)-phenyl-methanone; [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium; dibromide CAS Name: (1-methyl-3-pyridin-1-iumyl)-phenylmethanone; [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium; dibromide IUPAC Name: (1-methylpyridin-1-ium-3-yl)-phenylmethanone; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium; dibromide Traditional Name: keto-[(Z)-(1-methyl-2-pyridylidene)methyl]ammonium; (1-methylpyridin-1-ium-3-yl)-phenyl-methanone; dibromide Formula: C20H21Br2N3O2 MolecularWeight: 495.20764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=CC1=C[NH+]=O.C[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

CN\1C=CC=C/C1=C/[NH+]=O.C[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/C13H12NO.C7H8N2O.2BrH/c1-14-9-5-8-12(10-14)13(15)11-6-3-2-4-7-11;1-9-5-3-2-4-7(9)6-8-10;;/h2-10H,1H3;2-6H,1H3;2*1H/q+1;;;/p-1/b;7-6-;;