2-[(3,3,6-trimethyl-2-pyridin-2-yl-2H-pyrimidin-3-ium-4-yl)sulfanyl]ethanamine

Systemtic Name: 2-[(3,3,6-trimethyl-2-pyridin-2-yl-2H-pyrimidin-3-ium-4-yl)sulfanyl]ethanamine Openeye Name: 2-[[3,3,6-trimethyl-2-(2-pyridyl)-2H-pyrimidin-3-ium-4-yl]sulfanyl]ethanamine CAS Name: 2-[[3,3,6-trimethyl-2-(2-pyridinyl)-2H-pyrimidin-3-ium-4-yl]thio]ethanamine IUPAC Name: 2-[(3,3,6-trimethyl-2-pyridin-2-yl-2H-pyrimidin-3-ium-4-yl)sulfanyl]ethanamine Traditional Name: 2-[[3,3,6-trimethyl-2-(2-pyridyl)-2H-pyrimidin-3-ium-4-yl]thio]ethylamine Formula: C14H21N4S+ MolecularWeight: 277.40834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC([N+](C(=C1)SCCN)(C)C)C2=CC=CC=N2

Isomeric SMILES

CC1=NC([N+](C(=C1)SCCN)(C)C)C2=CC=CC=N2

InChI

InChI=1S/C14H21N4S/c1-11-10-13(19-9-7-15)18(2,3)14(17-11)12-6-4-5-8-16-12/h4-6,8,10,14H,7,9,15H2,1-3H3/q+1