methyl 3-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[(4-benzylpyridin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[[4-(phenylmethyl)-1-pyridin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-benzylpyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-benzylpyridin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C21H20NO2+ MolecularWeight: 318.389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20NO2/c1-24-21(23)20-9-5-8-19(15-20)16-22-12-10-18(11-13-22)14-17-6-3-2-4-7-17/h2-13,15H,14,16H2,1H3/q+1