4-[3-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)-1H-pyrimidin-3-ium-6-ylidene]cyclohexa-2,5-dien-1-one bromide

Systemtic Name: 4-[3-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)-1H-pyrimidin-3-ium-6-ylidene]cyclohexa-2,5-dien-1-one bromide Openeye Name: 4-[3-[2-(2-naphthyl)-2-oxo-ethyl]-1H-pyrimidin-3-ium-6-ylidene]cyclohexa-2,5-dien-1-one bromide CAS Name: 4-[3-[2-(2-naphthalenyl)-2-oxoethyl]-1H-pyrimidin-3-ium-6-ylidene]-1-cyclohexa-2,5-dienone bromide IUPAC Name: 4-[3-(2-naphthalen-2-yl-2-oxoethyl)-1H-pyrimidin-3-ium-6-ylidene]cyclohexa-2,5-dien-1-one bromide Traditional Name: 4-[3-[2-keto-2-(2-naphthyl)ethyl]-1H-pyrimidin-3-ium-6-ylidene]cyclohexa-2,5-dien-1-one bromide Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)C[N+]3=CNC(=C4C=CC(=O)C=C4)C=C3.[Br-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)C[N+]3=CNC(=C4C=CC(=O)C=C4)C=C3.[Br-]

InChI

InChI=1S/C22H16N2O2.BrH/c25-20-9-7-17(8-10-20)21-11-12-24(15-23-21)14-22(26)19-6-5-16-3-1-2-4-18(16)13-19;/h1-13,15H,14H2;1H