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

Systemtic Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(1-ethyl-5-methoxy-3-indolyl)methylidene]-7-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-keto-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCCC(C5)C

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)OC)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCC[C@@H](C5)C

InChI

InChI=1S/C27H30N2O4/c1-4-29-15-18(21-13-19(32-3)7-9-23(21)29)12-25-26(31)20-8-10-24(30)22(27(20)33-25)16-28-11-5-6-17(2)14-28/h7-10,12-13,15,17,30H,4-6,11,14,16H2,1-3H3/b25-12-/t17-/m0/s1