3-[(2S)-1-methylpyrrolidin-2-yl]-1-prop-2-enyl-pyridin-1-ium iodide

Systemtic Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-prop-2-enyl-pyridin-1-ium iodide Openeye Name: 1-allyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide CAS Name: 3-[(2S)-1-methyl-2-pyrrolidinyl]-1-prop-2-enylpyridin-1-ium iodide IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-prop-2-enylpyridin-1-ium iodide Traditional Name: 1-allyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide Formula: C13H19IN2 MolecularWeight: 330.20783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C[N+](=CC=C2)CC=C.[I-]

Isomeric SMILES

CN1CCC[C@H]1C2=C[N+](=CC=C2)CC=C.[I-]

InChI

InChI=1S/C13H19N2.HI/c1-3-8-15-10-4-6-12(11-15)13-7-5-9-14(13)2;/h3-4,6,10-11,13H,1,5,7-9H2,2H3;1H/q+1;/p-1/t13-;/m0./s1