1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(4-tert-butyl-2,6-dimethyl-benzyl)pyridin-1-ium-3-carboxamide chloride Formula: C19H25ClN2O MolecularWeight: 332.8676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C[N+]2=CC=CC(=C2)C(=O)N)C)C(C)(C)C.[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1C[N+]2=CC=CC(=C2)C(=O)N)C)C(C)(C)C.[Cl-]

InChI

InChI=1S/C19H24N2O.ClH/c1-13-9-16(19(3,4)5)10-14(2)17(13)12-21-8-6-7-15(11-21)18(20)22;/h6-11H,12H2,1-5H3,(H-,20,22);1H