2-[[[(2R)-1-oxidanylbutan-2-yl]amino]methyl]xanthen-9-one hydrochloride

Systemtic Name: 2-[[[(2R)-1-oxidanylbutan-2-yl]amino]methyl]xanthen-9-one hydrochloride Openeye Name: 2-[[[(1R)-1-(hydroxymethyl)propyl]amino]methyl]xanthen-9-one hydrochloride CAS Name: 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-9-xanthenone hydrochloride IUPAC Name: 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]xanthen-9-one hydrochloride Traditional Name: 2-[[[(1R)-1-methylolpropyl]amino]methyl]xanthone hydrochloride Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O.Cl

Isomeric SMILES

CC[C@H](CO)NCC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O.Cl

InChI

InChI=1S/C18H19NO3.ClH/c1-2-13(11-20)19-10-12-7-8-17-15(9-12)18(21)14-5-3-4-6-16(14)22-17;/h3-9,13,19-20H,2,10-11H2,1H3;1H/t13-;/m1./s1