1-[4-[6-(4-methylpiperazin-1-yl)hexoxy]-2-oxidanyl-3-propyl-phenyl]ethanone dihydrochloride

Systemtic Name: 1-[4-[6-(4-methylpiperazin-1-yl)hexoxy]-2-oxidanyl-3-propyl-phenyl]ethanone dihydrochloride Openeye Name: 1-[2-hydroxy-4-[6-(4-methylpiperazin-1-yl)hexoxy]-3-propyl-phenyl]ethanone dihydrochloride CAS Name: 1-[2-hydroxy-4-[6-(4-methyl-1-piperazinyl)hexoxy]-3-propylphenyl]ethanone dihydrochloride IUPAC Name: 1-[2-hydroxy-4-[6-(4-methylpiperazin-1-yl)hexoxy]-3-propylphenyl]ethanone dihydrochloride Traditional Name: 1-[2-hydroxy-4-[6-(4-methylpiperazino)hexoxy]-3-propyl-phenyl]ethanone dihydrochloride Formula: C22H38Cl2N2O3 MolecularWeight: 449.45472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCN2CCN(CC2)C.Cl.Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCN2CCN(CC2)C.Cl.Cl

InChI

InChI=1S/C22H36N2O3.2ClH/c1-4-9-20-21(11-10-19(18(2)25)22(20)26)27-17-8-6-5-7-12-24-15-13-23(3)14-16-24;;/h10-11,26H,4-9,12-17H2,1-3H3;2*1H