[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl-dipropyl-azanium

Systemtic Name: [(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-6-hydroxy-3-oxo-2-(3-pyridylmethylene)benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(3-pyridinylmethylidene)-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(3-pyridylmethylene)coumaran-7-yl]methyl-dipropyl-ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CN=CC=C3)C2=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-3-10-23(11-4-2)14-17-18(24)8-7-16-20(25)19(26-21(16)17)12-15-6-5-9-22-13-15/h5-9,12-13,24H,3-4,10-11,14H2,1-2H3/p+1/b19-12-