N'-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]-4-pyridin-2-yl-piperazine-1-carboximidamide trihydrochloride

Systemtic Name: N'-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]-4-pyridin-2-yl-piperazine-1-carboximidamide trihydrochloride Openeye Name: N'-[3-[(4-bromophenyl)methyl-(2-pyridyl)amino]propyl]-4-(2-pyridyl)piperazine-1-carboxamidine trihydrochloride CAS Name: N'-[3-[(4-bromophenyl)methyl-(2-pyridinyl)amino]propyl]-4-(2-pyridinyl)-1-piperazinecarboximidamide trihydrochloride IUPAC Name: N'-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide trihydrochloride Traditional Name: N'-[3-[(4-bromobenzyl)-(2-pyridyl)amino]propyl]-4-(2-pyridyl)piperazine-1-carboxamidine trihydrochloride Formula: C25H33BrCl3N7 MolecularWeight: 617.83942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=NCCCN(CC3=CC=C(C=C3)Br)C4=CC=CC=N4)N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=NCCCN(CC3=CC=C(C=C3)Br)C4=CC=CC=N4)N.Cl.Cl.Cl

InChI

InChI=1S/C25H30BrN7.3ClH/c26-22-10-8-21(9-11-22)20-33(24-7-2-4-13-29-24)15-5-14-30-25(27)32-18-16-31(17-19-32)23-6-1-3-12-28-23;;;/h1-4,6-13H,5,14-20H2,(H2,27,30);3*1H