oxidanylidene-[(E)-[1-(pyridin-1-ium-1-ylmethoxymethyl)pyridin-2-ylidene]methyl]azanium dichloride

Systemtic Name: oxidanylidene-[(E)-[1-(pyridin-1-ium-1-ylmethoxymethyl)pyridin-2-ylidene]methyl]azanium dichloride Openeye Name: oxo-[(E)-[1-(pyridin-1-ium-1-ylmethoxymethyl)-2-pyridylidene]methyl]ammonium dichloride CAS Name: oxo-[(E)-[1-(1-pyridin-1-iumylmethoxymethyl)-2-pyridinylidene]methyl]ammonium dichloride IUPAC Name: oxo-[(E)-[1-(pyridin-1-ium-1-ylmethoxymethyl)pyridin-2-ylidene]methyl]azanium dichloride Traditional Name: keto-[(E)-[1-(pyridin-1-ium-1-ylmethoxymethyl)-2-pyridylidene]methyl]ammonium dichloride Formula: C13H15Cl2N3O2 MolecularWeight: 316.1831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)COCN2C=CC=CC2=C[NH+]=O.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)COCN\2C=CC=C/C2=C\[NH+]=O.[Cl-].[Cl-]

InChI

InChI=1S/C13H14N3O2.2ClH/c17-14-10-13-6-2-5-9-16(13)12-18-11-15-7-3-1-4-8-15;;/h1-10H,11-12H2;2*1H/q+1;;/p-1/b13-10+;;