N-[1-(2-phenoxyethyl)piperidin-4-yl]-1-(phenylmethyl)benzimidazol-2-amine hydrate dihydrochloride

Systemtic Name: N-[1-(2-phenoxyethyl)piperidin-4-yl]-1-(phenylmethyl)benzimidazol-2-amine hydrate dihydrochloride Openeye Name: 1-benzyl-N-[1-(2-phenoxyethyl)-4-piperidyl]benzimidazol-2-amine hydrate dihydrochloride CAS Name: N-[1-(2-phenoxyethyl)-4-piperidinyl]-1-(phenylmethyl)-2-benzimidazolamine hydrate dihydrochloride IUPAC Name: 1-benzyl-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzimidazol-2-amine hydrate dihydrochloride Traditional Name: (1-benzylbenzimidazol-2-yl)-[1-(2-phenoxyethyl)-4-piperidyl]amine hydrate dihydrochloride Formula: C27H34Cl2N4O2 MolecularWeight: 517.49046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CCOC5=CC=CC=C5.O.Cl.Cl

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CCOC5=CC=CC=C5.O.Cl.Cl

InChI

InChI=1S/C27H30N4O.2ClH.H2O/c1-3-9-22(10-4-1)21-31-26-14-8-7-13-25(26)29-27(31)28-23-15-17-30(18-16-23)19-20-32-24-11-5-2-6-12-24;;;/h1-14,23H,15-21H2,(H,28,29);2*1H;1H2