1-butyl-2,4,6-triphenyl-pyridin-1-ium iodide

Systemtic Name: 1-butyl-2,4,6-triphenyl-pyridin-1-ium iodide Openeye Name: 1-butyl-2,4,6-triphenyl-pyridin-1-ium iodide CAS Name: 1-butyl-2,4,6-triphenylpyridin-1-ium iodide IUPAC Name: 1-butyl-2,4,6-triphenylpyridin-1-ium iodide Traditional Name: 1-butyl-2,4,6-triphenyl-pyridin-1-ium iodide Formula: C27H26IN MolecularWeight: 491.40651

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H26N.HI/c1-2-3-19-28-26(23-15-9-5-10-16-23)20-25(22-13-7-4-8-14-22)21-27(28)24-17-11-6-12-18-24;/h4-18,20-21H,2-3,19H2,1H3;1H/q+1;/p-1