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

Systemtic Name: ethyl 4-[2-(1-prop-2-enylpiperidin-1-ium-1-yl)propanoylamino]benzoate bromide Openeye Name: ethyl 4-[2-(1-allylpiperidin-1-ium-1-yl)propanoylamino]benzoate bromide CAS Name: 4-[[1-oxo-2-(1-prop-2-enyl-1-piperidin-1-iumyl)propyl]amino]benzoic acid ethyl ester bromide IUPAC Name: ethyl 4-[2-(1-prop-2-enylpiperidin-1-ium-1-yl)propanoylamino]benzoate bromide Traditional Name: 4-[2-(1-allylpiperidin-1-ium-1-yl)propanoylamino]benzoic acid ethyl ester bromide Formula: C20H29BrN2O3 MolecularWeight: 425.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3.BrH/c1-4-13-22(14-7-6-8-15-22)16(3)19(23)21-18-11-9-17(10-12-18)20(24)25-5-2;/h4,9-12,16H,1,5-8,13-15H2,2-3H3;1H