6-chloranyl-2-[(3-methoxy-3-methyl-butoxy)methyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-2-[(3-methoxy-3-methyl-butoxy)methyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-[(3-methoxy-3-methyl-butoxy)methyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-[(3-methoxy-3-methylbutoxy)methyl]-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-[(3-methoxy-3-methylbutoxy)methyl]-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-[(3-methoxy-3-methyl-butoxy)methyl]-5-piperazino-1H-benzimidazole dihydrochloride Formula: C18H29Cl3N4O2 MolecularWeight: 439.80746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOCC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)OC.Cl.Cl

Isomeric SMILES

CC(C)(CCOCC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)OC.Cl.Cl

InChI

InChI=1S/C18H27ClN4O2.2ClH/c1-18(2,24-3)4-9-25-12-17-21-14-10-13(19)16(11-15(14)22-17)23-7-5-20-6-8-23;;/h10-11,20H,4-9,12H2,1-3H3,(H,21,22);2*1H