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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCOC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC(C[NH+](C1)CCCOC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H25NO3.ClH/c24-21(18-9-3-1-4-10-18)20-13-7-14-23(17-20)15-8-16-26-22(25)19-11-5-2-6-12-19;/h1-6,9-12,20H,7-8,13-17H2;1H