butyl 4-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-phenyl-1-pyridin-1-iumyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c1-2-3-16-29-24(28)20-11-13-22(14-12-20)25-23(27)18-26-15-7-10-21(17-26)19-8-5-4-6-9-19/h4-15,17H,2-3,16,18H2,1H3/p+1