4-[2-(1-cyclopentylpyridin-1-ium-4-yl)oxypyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(1-cyclopentylpyridin-1-ium-4-yl)oxypyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(1-cyclopentylpyridin-1-ium-4-yl)oxypyrimidin-5-yl]benzonitrile CAS Name: 4-[2-[(1-cyclopentyl-4-pyridin-1-iumyl)oxy]-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(1-cyclopentylpyridin-1-ium-4-yl)oxypyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-(1-cyclopentylpyridin-1-ium-4-yl)oxypyrimidin-5-yl]benzonitrile Formula: C21H19N4O+ MolecularWeight: 343.40176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[N+]2=CC=C(C=C2)OC3=NC=C(C=N3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C1)[N+]2=CC=C(C=C2)OC3=NC=C(C=N3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N4O/c22-13-16-5-7-17(8-6-16)18-14-23-21(24-15-18)26-20-9-11-25(12-10-20)19-3-1-2-4-19/h5-12,14-15,19H,1-4H2/q+1