1-[4-methoxy-3-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[(4-benzylpyridin-1-ium-1-yl)methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-(phenylmethyl)-1-pyridin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[(4-benzylpyridin-1-ium-1-yl)methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[(4-benzylpyridin-1-ium-1-yl)methyl]-4-methoxy-phenyl]ethanone Formula: C22H22NO2+ MolecularWeight: 332.41558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H22NO2/c1-17(24)20-8-9-22(25-2)21(15-20)16-23-12-10-19(11-13-23)14-18-6-4-3-5-7-18/h3-13,15H,14,16H2,1-2H3/q+1