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

Systemtic Name: butyl 4-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2C)C

InChI

InChI=1S/C20H24N2O3/c1-4-5-13-25-20(24)17-8-10-18(11-9-17)21-19(23)14-22-12-6-7-15(2)16(22)3/h6-12H,4-5,13-14H2,1-3H3/p+1