N-[1-(2-azanyl-3-methyl-butyl)piperidin-4-yl]-1-(isoquinolin-1-ylmethyl)benzimidazol-2-amine trihydrate trihydrochloride

Systemtic Name: N-[1-(2-azanyl-3-methyl-butyl)piperidin-4-yl]-1-(isoquinolin-1-ylmethyl)benzimidazol-2-amine trihydrate trihydrochloride Openeye Name: N-[1-(2-amino-3-methyl-butyl)-4-piperidyl]-1-(1-isoquinolylmethyl)benzimidazol-2-amine trihydrate trihydrochloride CAS Name: N-[1-(2-amino-3-methylbutyl)-4-piperidinyl]-1-(1-isoquinolinylmethyl)-2-benzimidazolamine trihydrate trihydrochloride IUPAC Name: N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-(isoquinolin-1-ylmethyl)benzimidazol-2-amine trihydrate trihydrochloride Traditional Name: [1-(2-amino-3-methyl-butyl)-4-piperidyl]-[1-(1-isoquinolylmethyl)benzimidazol-2-yl]amine trihydrate trihydrochloride Formula: C27H43Cl3N6O3 MolecularWeight: 606.02772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=NC=CC5=CC=CC=C54)N.O.O.O.Cl.Cl.Cl

Isomeric SMILES

CC(C)C(CN1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=NC=CC5=CC=CC=C54)N.O.O.O.Cl.Cl.Cl

InChI

InChI=1S/C27H34N6.3ClH.3H2O/c1-19(2)23(28)17-32-15-12-21(13-16-32)30-27-31-24-9-5-6-10-26(24)33(27)18-25-22-8-4-3-7-20(22)11-14-29-25;;;;;;/h3-11,14,19,21,23H,12-13,15-18,28H2,1-2H3,(H,30,31);3*1H;3*1H2