ethyl 4-[2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanoylamino]benzoate bromide

Systemtic Name: ethyl 4-[2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanoylamino]benzoate bromide Openeye Name: ethyl 4-[[2-(1-allylpiperidin-1-ium-1-yl)acetyl]amino]benzoate bromide CAS Name: 4-[[1-oxo-2-(1-prop-2-enyl-1-piperidin-1-iumyl)ethyl]amino]benzoic acid ethyl ester bromide IUPAC Name: ethyl 4-[[2-(1-prop-2-enylpiperidin-1-ium-1-yl)acetyl]amino]benzoate bromide Traditional Name: 4-[[2-(1-allylpiperidin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester bromide Formula: C19H27BrN2O3 MolecularWeight: 411.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2(CCCCC2)CC=C.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2(CCCCC2)CC=C.[Br-]

InChI

InChI=1S/C19H26N2O3.BrH/c1-3-12-21(13-6-5-7-14-21)15-18(22)20-17-10-8-16(9-11-17)19(23)24-4-2;/h3,8-11H,1,4-7,12-15H2,2H3;1H