2-acetamido-6-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)hexanoic acid perchlorate

Systemtic Name: 2-acetamido-6-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)hexanoic acid perchlorate Openeye Name: 2-acetamido-6-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)hexanoic acid perchlorate CAS Name: 2-acetamido-6-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)hexanoic acid perchlorate IUPAC Name: 2-acetamido-6-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)hexanoic acid perchlorate Traditional Name: 2-acetamido-6-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)hexanoic acid perchlorate Formula: C21H27ClN2O7 MolecularWeight: 454.90128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCCCC(C(=O)O)NC(=O)C)C)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCCCC(C(=O)O)NC(=O)C)C)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H26N2O3.ClHO4/c1-15-13-19(18-9-5-4-6-10-18)14-16(2)23(15)12-8-7-11-20(21(25)26)22-17(3)24;2-1(3,4)5/h4-6,9-10,13-14,20H,7-8,11-12H2,1-3H3,(H-,22,24,25,26);(H,2,3,4,5)