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

Systemtic Name: 1-heptyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide Openeye Name: 1-heptyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide CAS Name: 1-heptyl-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridin-1-ium iodide IUPAC Name: 1-heptyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide Traditional Name: 1-heptyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide Formula: C17H29IN2 MolecularWeight: 388.33003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N2.HI/c1-3-4-5-6-7-13-19-14-8-10-16(15-19)17-11-9-12-18(17)2;/h8,10,14-15,17H,3-7,9,11-13H2,1-2H3;1H/q+1;/p-1/t17-;/m0./s1