methyl 4-[3-(4-ethylpiperazin-1-yl)-2-oxidanyl-propoxy]benzoate dihydrochloride

Systemtic Name: methyl 4-[3-(4-ethylpiperazin-1-yl)-2-oxidanyl-propoxy]benzoate dihydrochloride Openeye Name: methyl 4-[3-(4-ethylpiperazin-1-yl)-2-hydroxy-propoxy]benzoate dihydrochloride CAS Name: 4-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]benzoate dihydrochloride Traditional Name: 4-[3-(4-ethylpiperazino)-2-hydroxy-propoxy]benzoic acid methyl ester dihydrochloride Formula: C17H28Cl2N2O4 MolecularWeight: 395.32122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)OC)O.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC(COC2=CC=C(C=C2)C(=O)OC)O.Cl.Cl

InChI

InChI=1S/C17H26N2O4.2ClH/c1-3-18-8-10-19(11-9-18)12-15(20)13-23-16-6-4-14(5-7-16)17(21)22-2;;/h4-7,15,20H,3,8-13H2,1-2H3;2*1H