[3-(7-methyl-9-oxidanylidene-xanthen-3-yl)oxy-2-oxidanyl-propyl]-(2-methyl-1-oxidanyl-propan-2-yl)azanium chloride

Systemtic Name: [3-(7-methyl-9-oxidanylidene-xanthen-3-yl)oxy-2-oxidanyl-propyl]-(2-methyl-1-oxidanyl-propan-2-yl)azanium chloride Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-[2-hydroxy-3-(7-methyl-9-oxo-xanthen-3-yl)oxy-propyl]ammonium chloride CAS Name: [2-hydroxy-3-[(7-methyl-9-oxo-3-xanthenyl)oxy]propyl]-(1-hydroxy-2-methylpropan-2-yl)ammonium chloride IUPAC Name: [2-hydroxy-3-(7-methyl-9-oxoxanthen-3-yl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium chloride Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-[2-hydroxy-3-(9-keto-7-methyl-xanthen-3-yl)oxy-propyl]ammonium chloride Formula: C21H26ClNO5 MolecularWeight: 407.88784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)OCC(C[NH2+]C(C)(C)CO)O.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)OCC(C[NH2+]C(C)(C)CO)O.[Cl-]

InChI

InChI=1S/C21H25NO5.ClH/c1-13-4-7-18-17(8-13)20(25)16-6-5-15(9-19(16)27-18)26-11-14(24)10-22-21(2,3)12-23;/h4-9,14,22-24H,10-12H2,1-3H3;1H