1-[ethoxy-(6-methyl-3-phenylmethoxy-pyridin-2-yl)methyl]-N-piperidin-4-yl-benzimidazol-2-amine; propan-2-olate; dihydrate; trihydrochloride

Systemtic Name: 1-[ethoxy-(6-methyl-3-phenylmethoxy-pyridin-2-yl)methyl]-N-piperidin-4-yl-benzimidazol-2-amine; propan-2-olate; dihydrate; trihydrochloride Openeye Name: 1-[(3-benzyloxy-6-methyl-2-pyridyl)-ethoxy-methyl]-N-(4-piperidyl)benzimidazol-2-amine; propan-2-olate; dihydrate; trihydrochloride CAS Name: 1-[ethoxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-(4-piperidinyl)-2-benzimidazolamine; 2-propanolate; dihydrate; trihydrochloride IUPAC Name: 1-[ethoxy-(6-methyl-3-phenylmethoxypyridin-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine; propan-2-olate; dihydrate; trihydrochloride Traditional Name: [1-[(3-benzoxy-6-methyl-2-pyridyl)-ethoxy-methyl]benzimidazol-2-yl]-(4-piperidyl)amine; propan-2-olate; dihydrate; trihydrochloride Formula: C31H47Cl3N5O5- MolecularWeight: 676.09438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C=CC(=N1)C)OCC2=CC=CC=C2)N3C4=CC=CC=C4N=C3NC5CCNCC5.CC(C)[O-].O.O.Cl.Cl.Cl

Isomeric SMILES

CCOC(C1=C(C=CC(=N1)C)OCC2=CC=CC=C2)N3C4=CC=CC=C4N=C3NC5CCNCC5.CC(C)[O-].O.O.Cl.Cl.Cl

InChI

InChI=1S/C28H33N5O2.C3H7O.3ClH.2H2O/c1-3-34-27(26-25(14-13-20(2)30-26)35-19-21-9-5-4-6-10-21)33-24-12-8-7-11-23(24)32-28(33)31-22-15-17-29-18-16-22;1-3(2)4;;;;;/h4-14,22,27,29H,3,15-19H2,1-2H3,(H,31,32);3H,1-2H3;3*1H;2*1H2/q;-1;;;;;