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

Systemtic Name: ethyl 4-(2-piperidin-1-ium-1-ylethanoylamino)benzoate chloride Openeye Name: ethyl 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate chloride CAS Name: 4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]benzoic acid ethyl ester chloride IUPAC Name: ethyl 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate chloride Traditional Name: 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoic acid ethyl ester chloride Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3.ClH/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18;/h6-9H,2-5,10-12H2,1H3,(H,17,19);1H