2-acetamido-6-(2,4,6-triphenylpyridin-1-ium-1-yl)hexanoic acid perchlorate

Systemtic Name: 2-acetamido-6-(2,4,6-triphenylpyridin-1-ium-1-yl)hexanoic acid perchlorate Openeye Name: 2-acetamido-6-(2,4,6-triphenylpyridin-1-ium-1-yl)hexanoic acid perchlorate CAS Name: 2-acetamido-6-(2,4,6-triphenyl-1-pyridin-1-iumyl)hexanoic acid perchlorate IUPAC Name: 2-acetamido-6-(2,4,6-triphenylpyridin-1-ium-1-yl)hexanoic acid perchlorate Traditional Name: 2-acetamido-6-(2,4,6-triphenylpyridin-1-ium-1-yl)hexanoic acid perchlorate Formula: C31H31ClN2O7 MolecularWeight: 579.04004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O3.ClHO4/c1-23(34)32-28(31(35)36)19-11-12-20-33-29(25-15-7-3-8-16-25)21-27(24-13-5-2-6-14-24)22-30(33)26-17-9-4-10-18-26;2-1(3,4)5/h2-10,13-18,21-22,28H,11-12,19-20H2,1H3,(H-,32,34,35,36);(H,2,3,4,5)