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

Systemtic Name: methyl 4-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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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)OC

Isomeric SMILES

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

InChI

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