5-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)but-1-en-2-yl]pyridin-2-amine iodide

Systemtic Name: 5-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)but-1-en-2-yl]pyridin-2-amine iodide Openeye Name: 5-methyl-N-[1-[(1-methylpyridin-1-ium-4-yl)methylene]propyl]pyridin-2-amine iodide CAS Name: 5-methyl-N-[1-(1-methyl-4-pyridin-1-iumyl)but-1-en-2-yl]-2-pyridinamine iodide IUPAC Name: 5-methyl-N-[1-(1-methylpyridin-1-ium-4-yl)but-1-en-2-yl]pyridin-2-amine iodide Traditional Name: [1-ethyl-2-(1-methylpyridin-1-ium-4-yl)vinyl]-(5-methyl-2-pyridyl)amine iodide Formula: C16H20IN3 MolecularWeight: 381.25457

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=[N+](C=C1)C)NC2=NC=C(C=C2)C.[I-]

Isomeric SMILES

CCC(=CC1=CC=[N+](C=C1)C)NC2=NC=C(C=C2)C.[I-]

InChI

InChI=1S/C16H19N3.HI/c1-4-15(11-14-7-9-19(3)10-8-14)18-16-6-5-13(2)12-17-16;/h5-12H,4H2,1-3H3;1H