3-[(6-ethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]propyl-dimethyl-azanium dichloride

Systemtic Name: 3-[(6-ethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]propyl-dimethyl-azanium dichloride Openeye Name: 3-[(6-ethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]propyl-dimethyl-ammonium dichloride CAS Name: 3-[(6-ethyl-4-thieno[2,3-d]pyrimidin-1-iumyl)amino]propyl-dimethylammonium dichloride IUPAC Name: 3-[(6-ethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]propyl-dimethylazanium dichloride Traditional Name: 3-[(6-ethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]propyl-dimethyl-ammonium dichloride Formula: C13H22Cl2N4S MolecularWeight: 337.31158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C[NH+]=C2S1)NCCC[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2=C(N=C[NH+]=C2S1)NCCC[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C13H20N4S.2ClH/c1-4-10-8-11-12(14-6-5-7-17(2)3)15-9-16-13(11)18-10;;/h8-9H,4-7H2,1-3H3,(H,14,15,16);2*1H