(2Z)-6-oxidanyl-2-(phenylmethylidene)-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-6-oxidanyl-2-(phenylmethylidene)-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-benzylidene-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-(phenylmethylene)-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-benzylidene-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-benzal-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4)C3=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c23-18-10-9-16-20(24)19(13-15-7-3-1-4-8-15)25-21(16)17(18)14-22-11-5-2-6-12-22/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2/p+1/b19-13-