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

Systemtic Name: propyl 4-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-4-12-24-19(23)16-7-9-17(10-8-16)20-18(22)13-21-11-5-6-14(2)15(21)3/h5-11H,4,12-13H2,1-3H3/p+1