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

Systemtic Name: 1-butyl-2,4,6-triphenyl-pyridin-1-ium chloride Openeye Name: 1-butyl-2,4,6-triphenyl-pyridin-1-ium chloride CAS Name: 1-butyl-2,4,6-triphenylpyridin-1-ium chloride IUPAC Name: 1-butyl-2,4,6-triphenylpyridin-1-ium chloride Traditional Name: 1-butyl-2,4,6-triphenyl-pyridin-1-ium chloride Formula: C27H26ClN MolecularWeight: 399.95504

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H26N.ClH/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