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

Systemtic Name: [1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4-pyridin-1-iumyl]-phenylmethanone IUPAC Name: [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyridin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-(4-tert-butyl-2,6-dimethyl-benzyl)pyridin-1-ium-4-yl]-phenyl-methanone Formula: C25H28NO+ MolecularWeight: 358.49592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C)C(C)(C)C

InChI

InChI=1S/C25H28NO/c1-18-15-22(25(3,4)5)16-19(2)23(18)17-26-13-11-21(12-14-26)24(27)20-9-7-6-8-10-20/h6-16H,17H2,1-5H3/q+1