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

Systemtic Name: bis(2-methylpropyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-3-oxo-2-(2-thienylmethylene)benzofuran-7-yl]methyl-diisobutyl-ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-7-benzofuranyl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(2-thenylidene)coumaran-7-yl]methyl-diisobutyl-ammonium Formula: C22H28NO3S+ MolecularWeight: 386.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=CC3=CC=CS3)C2=O)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1O/C(=C\C3=CC=CS3)/C2=O)O)CC(C)C

InChI

InChI=1S/C22H27NO3S/c1-14(2)11-23(12-15(3)4)13-18-19(24)8-7-17-21(25)20(26-22(17)18)10-16-6-5-9-27-16/h5-10,14-15,24H,11-13H2,1-4H3/p+1/b20-10-