butyl 4-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-benzoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C25H25N2O4+ MolecularWeight: 417.477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O4/c1-2-3-17-31-25(30)21-9-11-22(12-10-21)26-23(28)18-27-15-13-20(14-16-27)24(29)19-7-5-4-6-8-19/h4-16H,2-3,17-18H2,1H3/p+1