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

Systemtic Name: dibutyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2Z)-6-hydroxy-3-oxo-2-(3-pyridylmethylene)benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2Z)-6-hydroxy-3-oxo-2-(3-pyridinylmethylidene)-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2Z)-6-hydroxy-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2Z)-6-hydroxy-3-keto-2-(3-pyridylmethylene)coumaran-7-yl]methyl]ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-3-5-12-25(13-6-4-2)16-19-20(26)10-9-18-22(27)21(28-23(18)19)14-17-8-7-11-24-15-17/h7-11,14-15,26H,3-6,12-13,16H2,1-2H3/p+1/b21-14-