2-azanyl-2-[(6-octyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propane-1,3-diol

Systemtic Name: 2-azanyl-2-[(6-octyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propane-1,3-diol Openeye Name: 2-amino-2-[(6-octyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propane-1,3-diol CAS Name: 2-amino-2-[(6-octyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propane-1,3-diol IUPAC Name: 2-amino-2-[(6-octyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propane-1,3-diol Traditional Name: 2-amino-2-[(6-octyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propane-1,3-diol Formula: C21H36N2O2 MolecularWeight: 348.52274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(CN(CC2)CC(CO)(CO)N)C=C1

Isomeric SMILES

CCCCCCCCC1=CC2=C(CN(CC2)CC(CO)(CO)N)C=C1

InChI

InChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-8-18-9-10-20-14-23(12-11-19(20)13-18)15-21(22,16-24)17-25/h9-10,13,24-25H,2-8,11-12,14-17,22H2,1H3