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

Systemtic Name: (2Z)-2-[(3-methoxyphenyl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-7-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-m-anisylidene-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-3-one Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)OC)C3=O)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)OC)/C3=O)O

InChI

InChI=1S/C23H25NO4/c1-15-5-4-10-24(13-15)14-19-20(25)9-8-18-22(26)21(28-23(18)19)12-16-6-3-7-17(11-16)27-2/h3,6-9,11-12,15,25H,4-5,10,13-14H2,1-2H3/p+1/b21-12-/t15-/m0/s1