propyl 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]benzoic acid propyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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