1-butyl-2-(2-nitrophenyl)-4,6-diphenyl-pyridin-1-ium perchlorate

Systemtic Name: 1-butyl-2-(2-nitrophenyl)-4,6-diphenyl-pyridin-1-ium perchlorate Openeye Name: 1-butyl-2-(2-nitrophenyl)-4,6-diphenyl-pyridin-1-ium perchlorate CAS Name: 1-butyl-2-(2-nitrophenyl)-4,6-diphenylpyridin-1-ium perchlorate IUPAC Name: 1-butyl-2-(2-nitrophenyl)-4,6-diphenylpyridin-1-ium perchlorate Traditional Name: 1-butyl-2-(2-nitrophenyl)-4,6-diphenyl-pyridin-1-ium perchlorate Formula: C27H25ClN2O6 MolecularWeight: 508.9502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N2O2.ClHO4/c1-2-3-18-28-26(22-14-8-5-9-15-22)19-23(21-12-6-4-7-13-21)20-27(28)24-16-10-11-17-25(24)29(30)31;2-1(3,4)5/h4-17,19-20H,2-3,18H2,1H3;(H,2,3,4,5)/q+1;/p-1