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

Systemtic Name: propyl 4-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-propylpyridin-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:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OCCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OCCC

InChI

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