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

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2E)-2-[(1-ethyl-3-indolyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-3-keto-coumaran-7-yl]methyl-dipropyl-ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c1-4-13-27(14-5-2)17-21-23(29)12-11-20-25(30)24(31-26(20)21)15-18-16-28(6-3)22-10-8-7-9-19(18)22/h7-12,15-16,29H,4-6,13-14,17H2,1-3H3/p+1/b24-15+