octadecan-1-amine; 1-(1-propylpiperidin-3-yl)ethanol; sulfate

Systemtic Name: octadecan-1-amine; 1-(1-propylpiperidin-3-yl)ethanol; sulfate Openeye Name: octadecan-1-amine; 1-(1-propyl-3-piperidyl)ethanol; sulfate CAS Name: 1-octadecanamine; 1-(1-propyl-3-piperidinyl)ethanol; sulfate IUPAC Name: octadecan-1-amine; 1-(1-propylpiperidin-3-yl)ethanol; sulfate Traditional Name: 1-(1-propyl-3-piperidyl)ethanol; stearylamine; sulfate Formula: C28H60N2O5S-2 MolecularWeight: 536.8514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN.CCCN1CCCC(C1)C(C)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN.CCCN1CCCC(C1)C(C)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C18H39N.C10H21NO.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-6-11-7-4-5-10(8-11)9(2)12;1-5(2,3)4/h2-19H2,1H3;9-10,12H,3-8H2,1-2H3;(H2,1,2,3,4)/p-2