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

Systemtic Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-undecyl-pyridin-1-ium iodide Openeye Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-undecyl-pyridin-1-ium iodide CAS Name: 3-[(2S)-1-methyl-2-pyrrolidinyl]-1-undecylpyridin-1-ium iodide IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-undecylpyridin-1-ium iodide Traditional Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-undecyl-pyridin-1-ium iodide Formula: C21H37IN2 MolecularWeight: 444.43635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N2.HI/c1-3-4-5-6-7-8-9-10-11-17-23-18-12-14-20(19-23)21-15-13-16-22(21)2;/h12,14,18-19,21H,3-11,13,15-17H2,1-2H3;1H/q+1;/p-1/t21-;/m0./s1