[3-(phenylcarbonyl)-1-propan-2-yl-piperidin-1-ium-3-yl] benzoate chloride

Systemtic Name: [3-(phenylcarbonyl)-1-propan-2-yl-piperidin-1-ium-3-yl] benzoate chloride Openeye Name: (3-benzoyl-1-isopropyl-piperidin-1-ium-3-yl) benzoate chloride CAS Name: benzoic acid (3-benzoyl-1-propan-2-yl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (3-benzoyl-1-propan-2-ylpiperidin-1-ium-3-yl) benzoate chloride Traditional Name: benzoic acid (3-benzoyl-1-isopropyl-piperidin-1-ium-3-yl) ester chloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3.ClH/c1-17(2)23-15-9-14-22(16-23,20(24)18-10-5-3-6-11-18)26-21(25)19-12-7-4-8-13-19;/h3-8,10-13,17H,9,14-16H2,1-2H3;1H