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

Systemtic Name: methyl-[3-(7-methyl-9-oxidanylidene-xanthen-3-yl)oxy-2-oxidanyl-propyl]-propan-2-yl-azanium chloride Openeye Name: [2-hydroxy-3-(7-methyl-9-oxo-xanthen-3-yl)oxy-propyl]-isopropyl-methyl-ammonium chloride CAS Name: [2-hydroxy-3-[(7-methyl-9-oxo-3-xanthenyl)oxy]propyl]-methyl-propan-2-ylammonium chloride IUPAC Name: [2-hydroxy-3-(7-methyl-9-oxoxanthen-3-yl)oxypropyl]-methyl-propan-2-ylazanium chloride Traditional Name: [2-hydroxy-3-(9-keto-7-methyl-xanthen-3-yl)oxy-propyl]-isopropyl-methyl-ammonium chloride Formula: C21H26ClNO4 MolecularWeight: 391.88844

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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)O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4.ClH/c1-13(2)22(4)11-15(23)12-25-16-6-7-17-20(10-16)26-19-8-5-14(3)9-18(19)21(17)24;/h5-10,13,15,23H,11-12H2,1-4H3;1H