(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-6-hydroxy-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-6-hydroxy-7-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-6-hydroxy-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-6-hydroxy-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumaran-3-one Formula: C24H24NO4+ MolecularWeight: 390.45166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)O

InChI

InChI=1S/C24H23NO4/c1-15-6-4-5-11-25(15)14-19-20(26)10-9-18-23(27)22(29-24(18)19)13-17-12-16-7-2-3-8-21(16)28-17/h2-3,7-10,12-13,15,26H,4-6,11,14H2,1H3/p+1/b22-13-/t15-/m0/s1