N-(3,5-dimethoxyphenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide chloride

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(3,5-dimethoxyphenyl)acetamide chloride CAS Name: N-(3,5-dimethoxyphenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide chloride IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(3,5-dimethoxyphenyl)acetamide chloride Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(3,5-dimethoxyphenyl)acetamide chloride Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)OC.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)OC.[Cl-]

InChI

InChI=1S/C22H22N2O3.ClH/c1-26-20-13-19(14-21(15-20)27-2)23-22(25)16-24-10-8-18(9-11-24)12-17-6-4-3-5-7-17;/h3-11,13-15H,12,16H2,1-2H3;1H