[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]-phenyl-methanone Openeye Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]-phenyl-methanone CAS Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-1-iumyl]-phenylmethanone IUPAC Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]-phenylmethanone Traditional Name: (1-homoveratrylpyridin-1-ium-3-yl)-phenyl-methanone Formula: C22H22NO3+ MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H22NO3/c1-25-20-11-10-17(15-21(20)26-2)12-14-23-13-6-9-19(16-23)22(24)18-7-4-3-5-8-18/h3-11,13,15-16H,12,14H2,1-2H3/q+1