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

Systemtic Name: 1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4-(phenylmethyl)pyridin-1-ium chloride Openeye Name: 4-benzyl-1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium chloride CAS Name: 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4-(phenylmethyl)pyridin-1-ium chloride IUPAC Name: 4-benzyl-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyridin-1-ium chloride Traditional Name: 4-benzyl-1-(4-tert-butyl-2,6-dimethyl-benzyl)pyridin-1-ium chloride Formula: C25H30ClN MolecularWeight: 379.9654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)C)C(C)(C)C.[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)C)C(C)(C)C.[Cl-]

InChI

InChI=1S/C25H30N.ClH/c1-19-15-23(25(3,4)5)16-20(2)24(19)18-26-13-11-22(12-14-26)17-21-9-7-6-8-10-21;/h6-16H,17-18H2,1-5H3;1H/q+1;/p-1