dimethyl-[2-[(pyridin-1-ium-2-ylamino)-(pyridin-2-ylamino)methylidene]azaniumylethyl]azanium trichloride

Systemtic Name: dimethyl-[2-[(pyridin-1-ium-2-ylamino)-(pyridin-2-ylamino)methylidene]azaniumylethyl]azanium trichloride Openeye Name: dimethyl-[2-[(pyridin-1-ium-2-ylamino)-(2-pyridylamino)methylene]ammonioethyl]ammonium trichloride CAS Name: dimethyl-[2-[(2-pyridin-1-iumylamino)-(2-pyridinylamino)methylidene]ammonioethyl]ammonium trichloride IUPAC Name: dimethyl-[2-[(pyridin-1-ium-2-ylamino)-(pyridin-2-ylamino)methylidene]azaniumylethyl]azanium trichloride Traditional Name: dimethyl-[2-[(pyridin-1-ium-2-ylamino)-(2-pyridylamino)methylene]ammonioethyl]ammonium trichloride Formula: C15H23Cl3N6 MolecularWeight: 393.74232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+]=C(NC1=CC=CC=[NH+]1)NC2=CC=CC=N2.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CC[NH+]=C(NC1=CC=CC=[NH+]1)NC2=CC=CC=N2.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C15H20N6.3ClH/c1-21(2)12-11-18-15(19-13-7-3-5-9-16-13)20-14-8-4-6-10-17-14;;;/h3-10H,11-12H2,1-2H3,(H2,16,17,18,19,20);3*1H