4-[5-(4-pentylphenyl)pyridin-1-ium-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-pentylphenyl)pyridin-1-ium-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-pentylphenyl)pyridin-1-ium-2-yl]benzonitrile CAS Name: 4-[5-(4-pentylphenyl)-2-pyridin-1-iumyl]benzonitrile IUPAC Name: 4-[5-(4-pentylphenyl)pyridin-1-ium-2-yl]benzonitrile Traditional Name: 4-[5-(4-amylphenyl)pyridin-1-ium-2-yl]benzonitrile Formula: C23H23N2+ MolecularWeight: 327.44212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C[NH+]=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C[NH+]=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H22N2/c1-2-3-4-5-18-6-10-20(11-7-18)22-14-15-23(25-17-22)21-12-8-19(16-24)9-13-21/h6-15,17H,2-5H2,1H3/p+1