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

Systemtic Name: dibutyl-[[(2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2E)-6-hydroxy-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2E)-6-hydroxy-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-7-yl]methyl]ammonium Formula: C27H33N2O3+ MolecularWeight: 433.56252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3/c1-4-6-14-29(15-7-5-2)18-22-24(30)13-12-21-26(31)25(32-27(21)22)16-19-17-28(3)23-11-9-8-10-20(19)23/h8-13,16-17,30H,4-7,14-15,18H2,1-3H3/p+1/b25-16+