4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]acetyl]benzonitrile CAS Name: 4-[2-[4-(3-chlorophenyl)-1-pyrimidin-1-iumyl]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]acetyl]benzonitrile Traditional Name: 4-[2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]acetyl]benzonitrile Formula: C19H13ClN3O+ MolecularWeight: 334.77902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H13ClN3O/c20-17-3-1-2-16(10-17)18-8-9-23(13-22-18)12-19(24)15-6-4-14(11-21)5-7-15/h1-10,13H,12H2/q+1