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

Systemtic Name: 1-hexyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide Openeye Name: 1-hexyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide CAS Name: 1-hexyl-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridin-1-ium iodide IUPAC Name: 1-hexyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide Traditional Name: 1-hexyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide Formula: C16H27IN2 MolecularWeight: 374.30345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N2.HI/c1-3-4-5-6-12-18-13-7-9-15(14-18)16-10-8-11-17(16)2;/h7,9,13-14,16H,3-6,8,10-12H2,1-2H3;1H/q+1;/p-1/t16-;/m0./s1