2-heptoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxy-phenol chloride

Systemtic Name: 2-heptoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxy-phenol chloride Openeye Name: 2-heptoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxy-phenol chloride CAS Name: 2-heptoxy-4-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methoxyphenol chloride IUPAC Name: 2-heptoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxyphenol chloride Traditional Name: 2-heptoxy-4-[[4-(2-hydroxyethyl)piperazino]methyl]-6-methoxy-phenol chloride Formula: C21H36ClN2O4- MolecularWeight: 415.97454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CCO.[Cl-]

Isomeric SMILES

CCCCCCCOC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CCO.[Cl-]

InChI

InChI=1S/C21H36N2O4.ClH/c1-3-4-5-6-7-14-27-20-16-18(15-19(26-2)21(20)25)17-23-10-8-22(9-11-23)12-13-24;/h15-16,24-25H,3-14,17H2,1-2H3;1H/p-1