1-butan-2-yl-2,4,6-triphenyl-pyridin-1-ium iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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