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

Systemtic Name: butyl 4-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H31N2O3+ MolecularWeight: 383.50384

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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)C(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-4-7-16-28-23(27)20-8-10-21(11-9-20)24-22(26)17-25-14-12-19(13-15-25)18(5-2)6-3/h8-15,18H,4-7,16-17H2,1-3H3/p+1