[(2R)-6-oxidanyl-3,4-dihydro-2H-chromen-2-yl]methyl-[4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butyl]azanium chloride

Systemtic Name: [(2R)-6-oxidanyl-3,4-dihydro-2H-chromen-2-yl]methyl-[4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butyl]azanium chloride Openeye Name: [(2R)-6-hydroxychroman-2-yl]methyl-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]ammonium chloride CAS Name: [(2R)-6-hydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]methyl-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]ammonium chloride IUPAC Name: [(2R)-6-hydroxy-3,4-dihydro-2H-chromen-2-yl]methyl-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]azanium chloride Traditional Name: [(2R)-6-hydroxychroman-2-yl]methyl-[4-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyl]ammonium chloride Formula: C21H25ClN2O5S MolecularWeight: 454.944142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)O)OC1C[NH2+]CCCCN3C(=O)C4=CC=CC=C4S3(=O)=O.[Cl-]

Isomeric SMILES

C1[14CH2]C2=C(C=CC(=C2)O)O[C@H]1C[NH2+]CCCCN3C(=O)C4=CC=CC=C4S3(=O)=O.[Cl-]

InChI

InChI=1S/C21H24N2O5S.ClH/c24-16-8-10-19-15(13-16)7-9-17(28-19)14-22-11-3-4-12-23-21(25)18-5-1-2-6-20(18)29(23,26)27;/h1-2,5-6,8,10,13,17,22,24H,3-4,7,9,11-12,14H2;1H/t17-;/m1./s1/i7+2;