1-[4-(2,6-dimethylphenoxy)butyl]-4-pyridin-2-yl-piperazine dihydrochloride

Systemtic Name: 1-[4-(2,6-dimethylphenoxy)butyl]-4-pyridin-2-yl-piperazine dihydrochloride Openeye Name: 1-[4-(2,6-dimethylphenoxy)butyl]-4-(2-pyridyl)piperazine dihydrochloride CAS Name: 1-[4-(2,6-dimethylphenoxy)butyl]-4-(2-pyridinyl)piperazine dihydrochloride IUPAC Name: 1-[4-(2,6-dimethylphenoxy)butyl]-4-pyridin-2-ylpiperazine dihydrochloride Traditional Name: 1-[4-(2,6-dimethylphenoxy)butyl]-4-(2-pyridyl)piperazine dihydrochloride Formula: C21H31Cl2N3O MolecularWeight: 412.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCCN2CCN(CC2)C3=CC=CC=N3.Cl.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCCN2CCN(CC2)C3=CC=CC=N3.Cl.Cl

InChI

InChI=1S/C21H29N3O.2ClH/c1-18-8-7-9-19(2)21(18)25-17-6-5-12-23-13-15-24(16-14-23)20-10-3-4-11-22-20;;/h3-4,7-11H,5-6,12-17H2,1-2H3;2*1H