3-(6-chloranylpyridazin-2-ium-3-yl)sulfanyl-N,N-dimethyl-propan-1-amine; methanesulfonate

Systemtic Name: 3-(6-chloranylpyridazin-2-ium-3-yl)sulfanyl-N,N-dimethyl-propan-1-amine; methanesulfonate Openeye Name: 3-(6-chloropyridazin-2-ium-3-yl)sulfanyl-N,N-dimethyl-propan-1-amine; methanesulfonate CAS Name: 3-[(6-chloro-3-pyridazin-2-iumyl)thio]-N,N-dimethyl-1-propanamine; methanesulfonate IUPAC Name: 3-(6-chloropyridazin-2-ium-3-yl)sulfanyl-N,N-dimethylpropan-1-amine; methanesulfonate Traditional Name: 3-[(6-chloropyridazin-2-ium-3-yl)thio]propyl-dimethyl-amine mesylate Formula: C10H18ClN3O3S2 MolecularWeight: 327.85122

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCSC1=[NH+]N=C(C=C1)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

CN(C)CCCSC1=[NH+]N=C(C=C1)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C9H14ClN3S.CH4O3S/c1-13(2)6-3-7-14-9-5-4-8(10)11-12-9;1-5(2,3)4/h4-5H,3,6-7H2,1-2H3;1H3,(H,2,3,4)