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

Systemtic Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2E)-6-hydroxy-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2E)-6-hydroxy-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-7-yl]methyl-dipropyl-ammonium Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CN(C4=CC=CC=C43)C)C2=O)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C/C3=CN(C4=CC=CC=C43)C)/C2=O)O

InChI

InChI=1S/C25H28N2O3/c1-4-12-27(13-5-2)16-20-22(28)11-10-19-24(29)23(30-25(19)20)14-17-15-26(3)21-9-7-6-8-18(17)21/h6-11,14-15,28H,4-5,12-13,16H2,1-3H3/p+1/b23-14+