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

Systemtic Name: 2-azanyl-6-(2,4,6-triphenylpyridin-1-ium-1-yl)hexanoic acid perchlorate Openeye Name: 2-amino-6-(2,4,6-triphenylpyridin-1-ium-1-yl)hexanoic acid perchlorate CAS Name: 2-amino-6-(2,4,6-triphenyl-1-pyridin-1-iumyl)hexanoic acid perchlorate IUPAC Name: 2-amino-6-(2,4,6-triphenylpyridin-1-ium-1-yl)hexanoic acid perchlorate Traditional Name: 2-amino-6-(2,4,6-triphenylpyridin-1-ium-1-yl)hexanoic acid perchlorate Formula: C29H29ClN2O6 MolecularWeight: 537.00336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCCC(C(=O)O)N)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCCC(C(=O)O)N)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C29H28N2O2.ClHO4/c30-26(29(32)33)18-10-11-19-31-27(23-14-6-2-7-15-23)20-25(22-12-4-1-5-13-22)21-28(31)24-16-8-3-9-17-24;2-1(3,4)5/h1-9,12-17,20-21,26H,10-11,18-19,30H2;(H,2,3,4,5)