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

Systemtic Name: methyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[(2Z)-6-hydroxy-3-oxo-2-(2-thienylmethylene)benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-7-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(2Z)-6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: benzyl-[[(2Z)-6-hydroxy-3-keto-2-(2-thenylidene)coumaran-7-yl]methyl]-methyl-ammonium Formula: C22H20NO3S+ MolecularWeight: 378.4641

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CS4)/C3=O)O

InChI

InChI=1S/C22H19NO3S/c1-23(13-15-6-3-2-4-7-15)14-18-19(24)10-9-17-21(25)20(26-22(17)18)12-16-8-5-11-27-16/h2-12,24H,13-14H2,1H3/p+1/b20-12-