(2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-methoxy-1-methyl-3-indolyl)methylidene]-7-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CN(C5=C4C=C(C=C5)OC)C)C3=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4/c1-16-6-4-5-11-28(16)15-21-23(29)10-8-19-25(30)24(32-26(19)21)12-17-14-27(2)22-9-7-18(31-3)13-20(17)22/h7-10,12-14,16,29H,4-6,11,15H2,1-3H3/b24-12-/t16-/m1/s1