2-(4-methylpiperazin-1-yl)-3a,4,5,6-tetrahydro-1H-perimidine hydrate dihydrochloride

Systemtic Name: 2-(4-methylpiperazin-1-yl)-3a,4,5,6-tetrahydro-1H-perimidine hydrate dihydrochloride Openeye Name: 2-(4-methylpiperazin-1-yl)-3a,4,5,6-tetrahydro-1H-perimidine hydrate dihydrochloride CAS Name: 2-(4-methyl-1-piperazinyl)-3a,4,5,6-tetrahydro-1H-perimidine hydrate dihydrochloride IUPAC Name: 2-(4-methylpiperazin-1-yl)-3a,4,5,6-tetrahydro-1H-perimidine hydrate dihydrochloride Traditional Name: 2-(4-methylpiperazino)-3a,4,5,6-tetrahydro-1H-perimidine hydrate dihydrochloride Formula: C16H26Cl2N4O MolecularWeight: 361.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3CCCC4=C3C(=CC=C4)N2.O.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC3CCCC4=C3C(=CC=C4)N2.O.Cl.Cl

InChI

InChI=1S/C16H22N4.2ClH.H2O/c1-19-8-10-20(11-9-19)16-17-13-6-2-4-12-5-3-7-14(18-16)15(12)13;;;/h2,4,6,14H,3,5,7-11H2,1H3,(H,17,18);2*1H;1H2