1-butoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol ethanoate

Systemtic Name: 1-butoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol ethanoate Openeye Name: 1-butoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol acetate CAS Name: 1-butoxy-3-(1-methyl-1-pyrrolidin-1-iumyl)-2-propanol acetate IUPAC Name: 1-butoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol acetate Traditional Name: 1-butoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol acetate Formula: C14H29NO4 MolecularWeight: 275.38436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(C[N+]1(CCCC1)C)O.CC(=O)[O-]

Isomeric SMILES

CCCCOCC(C[N+]1(CCCC1)C)O.CC(=O)[O-]

InChI

InChI=1S/C12H26NO2.C2H4O2/c1-3-4-9-15-11-12(14)10-13(2)7-5-6-8-13;1-2(3)4/h12,14H,3-11H2,1-2H3;1H3,(H,3,4)/q+1;/p-1