4-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-2-oxidanyl-benzoic acid perchlorate

Systemtic Name: 4-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-2-oxidanyl-benzoic acid perchlorate Openeye Name: 4-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-2-hydroxy-benzoic acid perchlorate CAS Name: 4-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)-2-hydroxybenzoic acid perchlorate IUPAC Name: 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-2-hydroxybenzoic acid perchlorate Traditional Name: 4-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-2-hydroxy-benzoic acid perchlorate Formula: C20H18ClNO7 MolecularWeight: 419.81242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC(=C(C=C2)C(=O)O)O)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC(=C(C=C2)C(=O)O)O)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H17NO3.ClHO4/c1-13-10-16(15-6-4-3-5-7-15)11-14(2)21(13)17-8-9-18(20(23)24)19(22)12-17;2-1(3,4)5/h3-12H,1-2H3,(H-,22,23,24);(H,2,3,4,5)