(6-methoxy-9-oxidanylidene-xanthen-2-yl)methyl-methyl-(2-oxidanylpropyl)azanium chloride

Systemtic Name: (6-methoxy-9-oxidanylidene-xanthen-2-yl)methyl-methyl-(2-oxidanylpropyl)azanium chloride Openeye Name: 2-hydroxypropyl-[(6-methoxy-9-oxo-xanthen-2-yl)methyl]-methyl-ammonium chloride CAS Name: 2-hydroxypropyl-[(6-methoxy-9-oxo-2-xanthenyl)methyl]-methylammonium chloride IUPAC Name: 2-hydroxypropyl-[(6-methoxy-9-oxoxanthen-2-yl)methyl]-methylazanium chloride Traditional Name: 2-hydroxypropyl-[(9-keto-6-methoxy-xanthen-2-yl)methyl]-methyl-ammonium chloride Formula: C19H22ClNO4 MolecularWeight: 363.83528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4.ClH/c1-12(21)10-20(2)11-13-4-7-17-16(8-13)19(22)15-6-5-14(23-3)9-18(15)24-17;/h4-9,12,21H,10-11H2,1-3H3;1H