(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2E)-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2E)-6-hydroxy-2-[(5-methoxy-1-methyl-3-indolyl)methylidene]-7-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2E)-6-hydroxy-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2E)-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-3-one Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CN(C5=C4C=C(C=C5)OC)C)C3=O)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C/C4=CN(C5=C4C=C(C=C5)OC)C)/C3=O)O

InChI

InChI=1S/C26H28N2O4/c1-16-5-4-10-28(13-16)15-21-23(29)9-7-19-25(30)24(32-26(19)21)11-17-14-27(2)22-8-6-18(31-3)12-20(17)22/h6-9,11-12,14,16,29H,4-5,10,13,15H2,1-3H3/p+1/b24-11+/t16-/m0/s1