[1-methyl-3-(phenylcarbonyl)piperidin-1-ium-3-yl] 4-azanyl-2-chloranyl-benzoate chloride

Systemtic Name: [1-methyl-3-(phenylcarbonyl)piperidin-1-ium-3-yl] 4-azanyl-2-chloranyl-benzoate chloride Openeye Name: (3-benzoyl-1-methyl-piperidin-1-ium-3-yl) 4-amino-2-chloro-benzoate chloride CAS Name: 4-amino-2-chlorobenzoic acid (3-benzoyl-1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-amino-2-chlorobenzoate chloride Traditional Name: 4-amino-2-chloro-benzoic acid (3-benzoyl-1-methyl-piperidin-1-ium-3-yl) ester chloride Formula: C20H22Cl2N2O3 MolecularWeight: 409.30628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3.ClH/c1-23-11-5-10-20(13-23,18(24)14-6-3-2-4-7-14)26-19(25)16-9-8-15(22)12-17(16)21;/h2-4,6-9,12H,5,10-11,13,22H2,1H3;1H