2-[[10-(2-hydroxyethylsulfanyl)anthracen-9-yl]methylamino]-2-methyl-propane-1,1-diol hydrochloride

Systemtic Name: 2-[[10-(2-hydroxyethylsulfanyl)anthracen-9-yl]methylamino]-2-methyl-propane-1,1-diol hydrochloride Openeye Name: 2-[[10-(2-hydroxyethylsulfanyl)-9-anthryl]methylamino]-2-methyl-propane-1,1-diol hydrochloride CAS Name: 2-[[10-(2-hydroxyethylthio)-9-anthracenyl]methylamino]-2-methylpropane-1,1-diol hydrochloride IUPAC Name: 2-[[10-(2-hydroxyethylsulfanyl)anthracen-9-yl]methylamino]-2-methylpropane-1,1-diol hydrochloride Traditional Name: 2-[[10-(2-hydroxyethylthio)-9-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=C2C=CC=CC2=C(C3=CC=CC=C31)SCCO.Cl

Isomeric SMILES

CC(C)(C(O)O)NCC1=C2C=CC=CC2=C(C3=CC=CC=C31)SCCO.Cl

InChI

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