[1-methyl-3-(phenylcarbonyl)piperidin-1-ium-3-yl] 4-azanylbenzoate chloride

Systemtic Name: [1-methyl-3-(phenylcarbonyl)piperidin-1-ium-3-yl] 4-azanylbenzoate chloride Openeye Name: (3-benzoyl-1-methyl-piperidin-1-ium-3-yl) 4-aminobenzoate chloride CAS Name: 4-aminobenzoic acid (3-benzoyl-1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-aminobenzoate chloride Traditional Name: 4-aminobenzoic acid (3-benzoyl-1-methyl-piperidin-1-ium-3-yl) ester chloride Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N.[Cl-]

InChI

InChI=1S/C20H22N2O3.ClH/c1-22-13-5-12-20(14-22,18(23)15-6-3-2-4-7-15)25-19(24)16-8-10-17(21)11-9-16;/h2-4,6-11H,5,12-14,21H2,1H3;1H