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

Systemtic Name: methyl-[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]-methyl-ammonium chloride CAS Name: [2-hydroxy-3-[(7-methyl-9-oxo-3-xanthenyl)oxy]propyl]-(1-hydroxy-2-methylpropan-2-yl)-methylammonium chloride IUPAC Name: [2-hydroxy-3-(7-methyl-9-oxoxanthen-3-yl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)-methylazanium chloride Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-[2-hydroxy-3-(9-keto-7-methyl-xanthen-3-yl)oxy-propyl]-methyl-ammonium chloride Formula: C22H28ClNO5 MolecularWeight: 421.91442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5.ClH/c1-14-5-8-19-18(9-14)21(26)17-7-6-16(10-20(17)28-19)27-12-15(25)11-23(4)22(2,3)13-24;/h5-10,15,24-25H,11-13H2,1-4H3;1H