4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]benzonitrile IUPAC Name: 4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]benzonitrile Formula: C18H21N2+ MolecularWeight: 265.37274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H21N2/c1-3-17(4-2)18-9-11-20(12-10-18)14-16-7-5-15(13-19)6-8-16/h5-12,17H,3-4,14H2,1-2H3/q+1