methyl 4-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H21N2O3+ MolecularWeight: 361.41374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3/c1-27-22(26)19-7-9-20(10-8-19)23-21(25)16-24-13-11-18(12-14-24)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3/p+1