ethyl 4-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

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