3-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1-benzofuran-2-one chloride

Systemtic Name: 3-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1-benzofuran-2-one chloride Openeye Name: 3-phenyl-3-(2-piperidin-1-ium-1-ylethyl)benzofuran-2-one chloride CAS Name: 3-phenyl-3-[2-(1-piperidin-1-iumyl)ethyl]-2-benzofuranone chloride IUPAC Name: 3-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1-benzofuran-2-one chloride Traditional Name: 3-phenyl-3-(2-piperidin-1-ium-1-ylethyl)coumaran-2-one chloride Formula: C21H24ClNO2 MolecularWeight: 357.87376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCC2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H23NO2.ClH/c23-20-21(17-9-3-1-4-10-17,13-16-22-14-7-2-8-15-22)18-11-5-6-12-19(18)24-20;/h1,3-6,9-12H,2,7-8,13-16H2;1H