[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl-dipropyl-azanium

Systemtic Name: [(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-6-hydroxy-3-oxo-2-(4-pyridylmethylene)benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(4-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=CC=NC=C3)C2=O)O

Isomeric SMILES

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

InChI

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