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

Systemtic Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-propyl-pyridin-1-ium iodide Openeye Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-propyl-pyridin-1-ium iodide CAS Name: 3-[(2S)-1-methyl-2-pyrrolidinyl]-1-propylpyridin-1-ium iodide IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-propylpyridin-1-ium iodide Traditional Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-propyl-pyridin-1-ium iodide Formula: C13H21IN2 MolecularWeight: 332.22371

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1)C2CCCN2C.[I-]

Isomeric SMILES

CCC[N+]1=CC=CC(=C1)[C@@H]2CCCN2C.[I-]

InChI

InChI=1S/C13H21N2.HI/c1-3-8-15-10-4-6-12(11-15)13-7-5-9-14(13)2;/h4,6,10-11,13H,3,5,7-9H2,1-2H3;1H/q+1;/p-1/t13-;/m0./s1