(2Z)-2-[(2-chlorophenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(2-chlorophenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(2-chlorophenyl)methylene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(2-chlorophenyl)methylidene]-6-hydroxy-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(2-chlorophenyl)methylidene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-(2-chlorobenzylidene)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C21H21ClNO3+ MolecularWeight: 370.84934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4Cl)C3=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4Cl)/C3=O)O

InChI

InChI=1S/C21H20ClNO3/c22-17-7-3-2-6-14(17)12-19-20(25)15-8-9-18(24)16(21(15)26-19)13-23-10-4-1-5-11-23/h2-3,6-9,12,24H,1,4-5,10-11,13H2/p+1/b19-12-