2-azanyl-2-[(4-octylsulfanylphenyl)methyl]propane-1,3-diol hydrochloride

Systemtic Name: 2-azanyl-2-[(4-octylsulfanylphenyl)methyl]propane-1,3-diol hydrochloride Openeye Name: 2-amino-2-[(4-octylsulfanylphenyl)methyl]propane-1,3-diol hydrochloride CAS Name: 2-amino-2-[[4-(octylthio)phenyl]methyl]propane-1,3-diol hydrochloride IUPAC Name: 2-amino-2-[(4-octylsulfanylphenyl)methyl]propane-1,3-diol hydrochloride Traditional Name: 2-amino-2-[4-(octylthio)benzyl]propane-1,3-diol hydrochloride Formula: C18H32ClNO2S MolecularWeight: 361.97018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)CC(CO)(CO)N.Cl

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)CC(CO)(CO)N.Cl

InChI

InChI=1S/C18H31NO2S.ClH/c1-2-3-4-5-6-7-12-22-17-10-8-16(9-11-17)13-18(19,14-20)15-21;/h8-11,20-21H,2-7,12-15,19H2,1H3;1H