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

Systemtic Name: butyl 4-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-3-5-15-26-21(25)18-7-9-19(10-8-18)22-20(24)16-23-13-11-17(6-4-2)12-14-23/h7-14H,3-6,15-16H2,1-2H3/p+1