2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethanol ethanoate

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethanol ethanoate Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethanol acetate CAS Name: 2-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylethanol acetate IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylethanol acetate Traditional Name: 2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethanol acetate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C[N+]1(CCCC1)CC(C2=CC=CC=C2)O

Isomeric SMILES

CC(=O)[O-].C[N+]1(CCCC1)CC(C2=CC=CC=C2)O

InChI

InChI=1S/C13H20NO.C2H4O2/c1-14(9-5-6-10-14)11-13(15)12-7-3-2-4-8-12;1-2(3)4/h2-4,7-8,13,15H,5-6,9-11H2,1H3;1H3,(H,3,4)/q+1;/p-1