[1-[(E)-4-(4-tert-butylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium bromide

Systemtic Name: [1-[(E)-4-(4-tert-butylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium bromide Openeye Name: [1-[(E)-4-(4-tert-butylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium bromide CAS Name: [1-[(E)-4-(4-tert-butyl-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium bromide IUPAC Name: [1-[(E)-4-(4-tert-butylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium bromide Traditional Name: [1-[(E)-4-(4-tert-butylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-keto-ammonium bromide Formula: C19H25BrN3O+ MolecularWeight: 391.3253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)CC=CCN2C=CC(=C[NH+]=O)C=C2.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C/C=C/CN2C=CC(=C[NH+]=O)C=C2.[Br-]

InChI

InChI=1S/C19H24N3O.BrH/c1-19(2,3)18-8-14-22(15-9-18)11-5-4-10-21-12-6-17(7-13-21)16-20-23;/h4-9,12-16H,10-11H2,1-3H3;1H/q+1;/b5-4+;