[1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-pyridin-1-iumyl]-phenylmethanone IUPAC Name: [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyridin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-(4,5-dimethoxy-2-methyl-benzyl)pyridin-1-ium-4-yl]-phenyl-methanone Formula: C22H22NO3+ MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22NO3/c1-16-13-20(25-2)21(26-3)14-19(16)15-23-11-9-18(10-12-23)22(24)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3/q+1