4-[2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]acetyl]benzonitrile CAS Name: 4-[2-[4-(2-methoxyphenyl)-1-pyrimidin-1-iumyl]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]acetyl]benzonitrile Traditional Name: 4-[2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]acetyl]benzonitrile Formula: C20H16N3O2+ MolecularWeight: 330.35994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16N3O2/c1-25-20-5-3-2-4-17(20)18-10-11-23(14-22-18)13-19(24)16-8-6-15(12-21)7-9-16/h2-11,14H,13H2,1H3/q+1