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

Systemtic Name: bis(2-methylpropyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-3-oxo-2-(4-pyridylmethylene)benzofuran-7-yl]methyl-diisobutyl-ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-7-benzofuranyl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(4-pyridylmethylene)coumaran-7-yl]methyl-diisobutyl-ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-15(2)12-25(13-16(3)4)14-19-20(26)6-5-18-22(27)21(28-23(18)19)11-17-7-9-24-10-8-17/h5-11,15-16,26H,12-14H2,1-4H3/p+1/b21-11-