methyl 4-(3-piperidin-1-ium-1-ylpropanoylamino)benzoate chloride

Systemtic Name: methyl 4-(3-piperidin-1-ium-1-ylpropanoylamino)benzoate chloride Openeye Name: methyl 4-(3-piperidin-1-ium-1-ylpropanoylamino)benzoate chloride CAS Name: 4-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]benzoic acid methyl ester chloride IUPAC Name: methyl 4-(3-piperidin-1-ium-1-ylpropanoylamino)benzoate chloride Traditional Name: 4-(3-piperidin-1-ium-1-ylpropanoylamino)benzoic acid methyl ester chloride Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3.ClH/c1-21-16(20)13-5-7-14(8-6-13)17-15(19)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,19);1H