[1-(3-isoquinolin-2-ium-2-ylpropyl)pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-(3-isoquinolin-2-ium-2-ylpropyl)pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-(3-isoquinolin-2-ium-2-ylpropyl)-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[3-(2-isoquinolin-2-iumyl)propyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-(3-isoquinolin-2-ium-2-ylpropyl)pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-(3-isoquinolin-2-ium-2-ylpropyl)-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C18H19Br2N3O MolecularWeight: 453.17096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCN3C=CC(=C[NH+]=O)C=C3.[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCN3C=CC(=C[NH+]=O)C=C3.[Br-].[Br-]

InChI

InChI=1S/C18H18N3O.2BrH/c22-19-14-16-6-11-20(12-7-16)9-3-10-21-13-8-17-4-1-2-5-18(17)15-21;;/h1-2,4-8,11-15H,3,9-10H2;2*1H/q+1;;/p-1