N4,N4'-dimethyl-1H-pyridin-1-ium-4,4-diamine; 4-methylbenzenesulfonate

Systemtic Name: N4,N4'-dimethyl-1H-pyridin-1-ium-4,4-diamine; 4-methylbenzenesulfonate Openeye Name: N4,N4'-dimethyl-1H-pyridin-1-ium-4,4-diamine; 4-methylbenzenesulfonate CAS Name: N4,N4'-dimethyl-1H-pyridin-1-ium-4,4-diamine; 4-methylbenzenesulfonate IUPAC Name: 4-N,4-N'-dimethyl-1H-pyridin-1-ium-4,4-diamine; 4-methylbenzenesulfonate Traditional Name: methyl-[4-(methylamino)-1H-pyridin-1-ium-4-yl]amine tosylate Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CNC1(C=C[NH2+]C=C1)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CNC1(C=C[NH2+]C=C1)NC

InChI

InChI=1S/C7H13N3.C7H8O3S/c1-8-7(9-2)3-5-10-6-4-7;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,8-10H,1-2H3;2-5H,1H3,(H,8,9,10)