N-methyl-2-(1-methylpyridin-1-ium-4-yl)sulfanyl-ethanamine

Systemtic Name: N-methyl-2-(1-methylpyridin-1-ium-4-yl)sulfanyl-ethanamine Openeye Name: N-methyl-2-(1-methylpyridin-1-ium-4-yl)sulfanyl-ethanamine CAS Name: N-methyl-2-[(1-methyl-4-pyridin-1-iumyl)thio]ethanamine IUPAC Name: N-methyl-2-(1-methylpyridin-1-ium-4-yl)sulfanylethanamine Traditional Name: methyl-[2-[(1-methylpyridin-1-ium-4-yl)thio]ethyl]amine Formula: C9H15N2S+ MolecularWeight: 183.2938

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1=CC=[N+](C=C1)C

Isomeric SMILES

CNCCSC1=CC=[N+](C=C1)C

InChI

InChI=1S/C9H15N2S/c1-10-5-8-12-9-3-6-11(2)7-4-9/h3-4,6-7,10H,5,8H2,1-2H3/q+1