propyl 4-[2-(2-methylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(2-methylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid propyl ester Formula: C18H21N2O3+ MolecularWeight: 313.37094

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-3-12-23-18(22)15-7-9-16(10-8-15)19-17(21)13-20-11-5-4-6-14(20)2/h4-11H,3,12-13H2,1-2H3/p+1