3-azanyl-1-(4-heptylphenyl)-3-(hydroxymethyl)butane-1,4-diol hydrochloride

Systemtic Name: 3-azanyl-1-(4-heptylphenyl)-3-(hydroxymethyl)butane-1,4-diol hydrochloride Openeye Name: 3-amino-1-(4-heptylphenyl)-3-(hydroxymethyl)butane-1,4-diol hydrochloride CAS Name: 3-amino-1-(4-heptylphenyl)-3-(hydroxymethyl)butane-1,4-diol hydrochloride IUPAC Name: 3-amino-1-(4-heptylphenyl)-3-(hydroxymethyl)butane-1,4-diol hydrochloride Traditional Name: 3-amino-1-(4-heptylphenyl)-3-methylol-butane-1,4-diol hydrochloride Formula: C18H32ClNO3 MolecularWeight: 345.90458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(CC(CO)(CO)N)O.Cl

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(CC(CO)(CO)N)O.Cl

InChI

InChI=1S/C18H31NO3.ClH/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17(22)12-18(19,13-20)14-21;/h8-11,17,20-22H,2-7,12-14,19H2,1H3;1H