2-methyl-2-[[10-(2-oxidanylbutoxy)anthracen-9-yl]methylamino]propane-1,3-diol hydrochloride

Systemtic Name: 2-methyl-2-[[10-(2-oxidanylbutoxy)anthracen-9-yl]methylamino]propane-1,3-diol hydrochloride Openeye Name: 2-[[10-(2-hydroxybutoxy)-9-anthryl]methylamino]-2-methyl-propane-1,3-diol hydrochloride CAS Name: 2-[[10-(2-hydroxybutoxy)-9-anthracenyl]methylamino]-2-methylpropane-1,3-diol hydrochloride IUPAC Name: 2-[[10-(2-hydroxybutoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol hydrochloride Traditional Name: 2-[[10-(2-hydroxybutoxy)-9-anthryl]methylamino]-2-methyl-propane-1,3-diol hydrochloride Formula: C23H30ClNO4 MolecularWeight: 419.9416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC(C)(CO)CO)O.Cl

Isomeric SMILES

CCC(COC1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC(C)(CO)CO)O.Cl

InChI

InChI=1S/C23H29NO4.ClH/c1-3-16(27)13-28-22-19-10-6-4-8-17(19)21(12-24-23(2,14-25)15-26)18-9-5-7-11-20(18)22;/h4-11,16,24-27H,3,12-15H2,1-2H3;1H