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

Systemtic Name: (1-methylpyridin-1-ium-3-yl)-phenyl-methanone; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; dichloride Openeye Name: (1-methylpyridin-1-ium-3-yl)-phenyl-methanone; [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium; dichloride CAS Name: (1-methyl-3-pyridin-1-iumyl)-phenylmethanone; [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium; dichloride IUPAC Name: (1-methylpyridin-1-ium-3-yl)-phenylmethanone; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium; dichloride Traditional Name: keto-[(Z)-(1-methyl-2-pyridylidene)methyl]ammonium; (1-methylpyridin-1-ium-3-yl)-phenyl-methanone; dichloride Formula: C20H21Cl2N3O2 MolecularWeight: 406.30564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12NO.C7H8N2O.2ClH/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-;;