1-hexyl-4-(phenylmethyl)pyridin-1-ium iodide

Systemtic Name: 1-hexyl-4-(phenylmethyl)pyridin-1-ium iodide Openeye Name: 4-benzyl-1-hexyl-pyridin-1-ium iodide CAS Name: 1-hexyl-4-(phenylmethyl)pyridin-1-ium iodide IUPAC Name: 4-benzyl-1-hexylpyridin-1-ium iodide Traditional Name: 4-benzyl-1-hexyl-pyridin-1-ium iodide Formula: C18H24IN MolecularWeight: 381.29433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=C(C=C1)CC2=CC=CC=C2.[I-]

Isomeric SMILES

CCCCCC[N+]1=CC=C(C=C1)CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C18H24N.HI/c1-2-3-4-8-13-19-14-11-18(12-15-19)16-17-9-6-5-7-10-17;/h5-7,9-12,14-15H,2-4,8,13,16H2,1H3;1H/q+1;/p-1