2-(2-dimethylaminoethyl)-1,3-dipyridin-2-yl-guanidine trichloride

Systemtic Name: 2-(2-dimethylaminoethyl)-1,3-dipyridin-2-yl-guanidine trichloride Openeye Name: 2-(2-dimethylaminoethyl)-1,3-bis(2-pyridyl)guanidine trichloride CAS Name: 2-(2-dimethylaminoethyl)-1,3-bis(2-pyridinyl)guanidine trichloride IUPAC Name: 2-(2-dimethylaminoethyl)-1,3-dipyridin-2-ylguanidine trichloride Traditional Name: 2-(2-dimethylaminoethyl)-1,3-bis(2-pyridyl)guanidine trichloride Formula: C45H60Cl3N18-3 MolecularWeight: 959.4375

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN=C(NC1=CC=CC=N1)NC2=CC=CC=N2.CN(C)CCN=C(NC1=CC=CC=N1)NC2=CC=CC=N2.CN(C)CCN=C(NC1=CC=CC=N1)NC2=CC=CC=N2.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CN(C)CCN=C(NC1=CC=CC=N1)NC2=CC=CC=N2.CN(C)CCN=C(NC1=CC=CC=N1)NC2=CC=CC=N2.CN(C)CCN=C(NC1=CC=CC=N1)NC2=CC=CC=N2.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/3C15H20N6.3ClH/c3*1-21(2)12-11-18-15(19-13-7-3-5-9-16-13)20-14-8-4-6-10-17-14;;;/h3*3-10H,11-12H2,1-2H3,(H2,16,17,18,19,20);3*1H/p-3