(2Z)-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-[(4-phenylphenyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-2-[(4-phenylphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-(4-phenylbenzylidene)coumaran-3-one Formula: C28H28NO3+ MolecularWeight: 426.52682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C5=CC=CC=C5)C3=O)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C5=CC=CC=C5)/C3=O)O

InChI

InChI=1S/C28H27NO3/c1-19-7-5-6-16-29(19)18-24-25(30)15-14-23-27(31)26(32-28(23)24)17-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-15,17,19,30H,5-7,16,18H2,1H3/p+1/b26-17-/t19-/m0/s1