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

Systemtic Name: (6-chloranyl-9-oxidanylidene-xanthen-2-yl)methyl-(2-oxidanylpropyl)azanium chloride Openeye Name: (6-chloro-9-oxo-xanthen-2-yl)methyl-(2-hydroxypropyl)ammonium chloride CAS Name: (6-chloro-9-oxo-2-xanthenyl)methyl-(2-hydroxypropyl)ammonium chloride IUPAC Name: (6-chloro-9-oxoxanthen-2-yl)methyl-(2-hydroxypropyl)azanium chloride Traditional Name: (6-chloro-9-keto-xanthen-2-yl)methyl-(2-hydroxypropyl)ammonium chloride Formula: C17H17Cl2NO3 MolecularWeight: 354.22778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3.ClH/c1-10(20)8-19-9-11-2-5-15-14(6-11)17(21)13-4-3-12(18)7-16(13)22-15;/h2-7,10,19-20H,8-9H2,1H3;1H