2-azanyl-2-[2-[4-(4-butoxy-2-methyl-phenyl)phenyl]ethyl]propane-1,3-diol hydrochloride

Systemtic Name: 2-azanyl-2-[2-[4-(4-butoxy-2-methyl-phenyl)phenyl]ethyl]propane-1,3-diol hydrochloride Openeye Name: 2-amino-2-[2-[4-(4-butoxy-2-methyl-phenyl)phenyl]ethyl]propane-1,3-diol hydrochloride CAS Name: 2-amino-2-[2-[4-(4-butoxy-2-methylphenyl)phenyl]ethyl]propane-1,3-diol hydrochloride IUPAC Name: 2-amino-2-[2-[4-(4-butoxy-2-methylphenyl)phenyl]ethyl]propane-1,3-diol hydrochloride Traditional Name: 2-amino-2-[2-[4-(4-butoxy-2-methyl-phenyl)phenyl]ethyl]propane-1,3-diol hydrochloride Formula: C22H32ClNO3 MolecularWeight: 393.94738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC(CO)(CO)N)C.Cl

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC(CO)(CO)N)C.Cl

InChI

InChI=1S/C22H31NO3.ClH/c1-3-4-13-26-20-9-10-21(17(2)14-20)19-7-5-18(6-8-19)11-12-22(23,15-24)16-25;/h5-10,14,24-25H,3-4,11-13,15-16,23H2,1-2H3;1H