1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium ethanoate

Systemtic Name: 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium ethanoate Openeye Name: 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium acetate CAS Name: 1-methyl-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridin-1-ium acetate IUPAC Name: 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium acetate Traditional Name: 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium acetate Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N2.C2H4O2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2;1-2(3)4/h3,5,7,9,11H,4,6,8H2,1-2H3;1H3,(H,3,4)/q+1;/p-1/t11-;/m0./s1