(5-chloranyl-9-oxidanylidene-xanthen-2-yl)methyl-[(2S)-1-oxidanylbutan-2-yl]azanium chloride

Systemtic Name: (5-chloranyl-9-oxidanylidene-xanthen-2-yl)methyl-[(2S)-1-oxidanylbutan-2-yl]azanium chloride Openeye Name: (5-chloro-9-oxo-xanthen-2-yl)methyl-[(1S)-1-(hydroxymethyl)propyl]ammonium chloride CAS Name: (5-chloro-9-oxo-2-xanthenyl)methyl-[(2S)-1-hydroxybutan-2-yl]ammonium chloride IUPAC Name: (5-chloro-9-oxoxanthen-2-yl)methyl-[(2S)-1-hydroxybutan-2-yl]azanium chloride Traditional Name: (5-chloro-9-keto-xanthen-2-yl)methyl-[(1S)-1-methylolpropyl]ammonium chloride Formula: C18H19Cl2NO3 MolecularWeight: 368.25436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3Cl.[Cl-]

Isomeric SMILES

CC[C@@H](CO)[NH2+]CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3Cl.[Cl-]

InChI

InChI=1S/C18H18ClNO3.ClH/c1-2-12(10-21)20-9-11-6-7-16-14(8-11)17(22)13-4-3-5-15(19)18(13)23-16;/h3-8,12,20-21H,2,9-10H2,1H3;1H/t12-;/m0./s1