methyl-[[(2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[(2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: [(2E)-6-hydroxy-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-7-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: benzyl-[[(2E)-6-hydroxy-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-7-yl]methyl]-methyl-ammonium Formula: C27H25N2O3+ MolecularWeight: 425.499

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](C)CC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](C)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N2O3/c1-28(15-18-8-4-3-5-9-18)17-22-24(30)13-12-21-26(31)25(32-27(21)22)14-19-16-29(2)23-11-7-6-10-20(19)23/h3-14,16,30H,15,17H2,1-2H3/p+1/b25-14+