ethyl 4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate chloride

Systemtic Name: ethyl 4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate chloride Openeye Name: ethyl 4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate chloride CAS Name: 4-[[1-oxo-2-(1-piperidin-1-iumyl)propyl]amino]benzoic acid ethyl ester chloride IUPAC Name: ethyl 4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate chloride Traditional Name: 4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoic acid ethyl ester chloride Formula: C17H25ClN2O3 MolecularWeight: 340.845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3.ClH/c1-3-22-17(21)14-7-9-15(10-8-14)18-16(20)13(2)19-11-5-4-6-12-19;/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20);1H