1-phenacyl-2-[(4-piperidin-4-yloxyphenoxy)methyl]benzimidazole-5-carboximidamide dihydrochloride

Systemtic Name: 1-phenacyl-2-[(4-piperidin-4-yloxyphenoxy)methyl]benzimidazole-5-carboximidamide dihydrochloride Openeye Name: 1-phenacyl-2-[[4-(4-piperidyloxy)phenoxy]methyl]benzimidazole-5-carboxamidine dihydrochloride CAS Name: 1-phenacyl-2-[[4-(4-piperidinyloxy)phenoxy]methyl]-5-benzimidazolecarboximidamide dihydrochloride IUPAC Name: 1-phenacyl-2-[(4-piperidin-4-yloxyphenoxy)methyl]benzimidazole-5-carboximidamide dihydrochloride Traditional Name: 1-phenacyl-2-[[4-(4-piperidyloxy)phenoxy]methyl]benzimidazole-5-carboxamidine dihydrochloride Formula: C28H31Cl2N5O3 MolecularWeight: 556.48344

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=C(C=C2)OCC3=NC4=C(N3CC(=O)C5=CC=CC=C5)C=CC(=C4)C(=N)N.Cl.Cl

Isomeric SMILES

C1CNCCC1OC2=CC=C(C=C2)OCC3=NC4=C(N3CC(=O)C5=CC=CC=C5)C=CC(=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C28H29N5O3.2ClH/c29-28(30)20-6-11-25-24(16-20)32-27(33(25)17-26(34)19-4-2-1-3-5-19)18-35-21-7-9-22(10-8-21)36-23-12-14-31-15-13-23;;/h1-11,16,23,31H,12-15,17-18H2,(H3,29,30);2*1H