2-[[10-(2-hydroxyethylsulfanyl)anthracen-1-yl]methylamino]-2-methyl-propane-1,1-diol hydrochloride

Systemtic Name: 2-[[10-(2-hydroxyethylsulfanyl)anthracen-1-yl]methylamino]-2-methyl-propane-1,1-diol hydrochloride Openeye Name: 2-[[10-(2-hydroxyethylsulfanyl)-1-anthryl]methylamino]-2-methyl-propane-1,1-diol hydrochloride CAS Name: 2-[[10-(2-hydroxyethylthio)-1-anthracenyl]methylamino]-2-methylpropane-1,1-diol hydrochloride IUPAC Name: 2-[[10-(2-hydroxyethylsulfanyl)anthracen-1-yl]methylamino]-2-methylpropane-1,1-diol hydrochloride Traditional Name: 2-[[10-(2-hydroxyethylthio)-1-anthryl]methylamino]-2-methyl-propane-1,1-diol hydrochloride Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(O)O)NCC1=CC=CC2=C(C3=CC=CC=C3C=C21)SCCO.Cl

Isomeric SMILES

CC(C)(C(O)O)NCC1=CC=CC2=C(C3=CC=CC=C3C=C21)SCCO.Cl

InChI

InChI=1S/C21H25NO3S.ClH/c1-21(2,20(24)25)22-13-15-7-5-9-17-18(15)12-14-6-3-4-8-16(14)19(17)26-11-10-23;/h3-9,12,20,22-25H,10-11,13H2,1-2H3;1H