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

Systemtic Name: (2Z)-2-[(1-methylindol-3-yl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(1-methylindol-3-yl)methylene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(1-methyl-3-indolyl)methylidene]-7-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(1-methylindol-3-yl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(1-methylindol-3-yl)methylene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CN(C5=CC=CC=C54)C)C3=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CN(C5=CC=CC=C54)C)/C3=O)[O-]

InChI

InChI=1S/C25H26N2O3/c1-16-6-5-11-27(13-16)15-20-22(28)10-9-19-24(29)23(30-25(19)20)12-17-14-26(2)21-8-4-3-7-18(17)21/h3-4,7-10,12,14,16,28H,5-6,11,13,15H2,1-2H3/b23-12-/t16-/m0/s1