2-methyl-1-[[6-[[(2-methyl-2-sulfanyl-propyl)amino]methyl]pyridin-1-ium-2-yl]methylamino]propane-2-thiol chloride

Systemtic Name: 2-methyl-1-[[6-[[(2-methyl-2-sulfanyl-propyl)amino]methyl]pyridin-1-ium-2-yl]methylamino]propane-2-thiol chloride Openeye Name: 2-methyl-1-[[6-[[(2-methyl-2-sulfanyl-propyl)amino]methyl]pyridin-1-ium-2-yl]methylamino]propane-2-thiol chloride CAS Name: 1-[[6-[[(2-mercapto-2-methylpropyl)amino]methyl]-2-pyridin-1-iumyl]methylamino]-2-methyl-2-propanethiol chloride IUPAC Name: 2-methyl-1-[[6-[[(2-methyl-2-sulfanylpropyl)amino]methyl]pyridin-1-ium-2-yl]methylamino]propane-2-thiol chloride Traditional Name: 1-[[6-[[(2-mercapto-2-methyl-propyl)amino]methyl]pyridin-1-ium-2-yl]methylamino]-2-methyl-propane-2-thiol chloride Formula: C15H28ClN3S2 MolecularWeight: 349.98592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCC1=[NH+]C(=CC=C1)CNCC(C)(C)S)S.[Cl-]

Isomeric SMILES

CC(C)(CNCC1=[NH+]C(=CC=C1)CNCC(C)(C)S)S.[Cl-]

InChI

InChI=1S/C15H27N3S2.ClH/c1-14(2,19)10-16-8-12-6-5-7-13(18-12)9-17-11-15(3,4)20;/h5-7,16-17,19-20H,8-11H2,1-4H3;1H