1-methyl-1-oxidanyl-2-phenethyl-pyrrolidin-1-ium ethanoate

Systemtic Name: 1-methyl-1-oxidanyl-2-phenethyl-pyrrolidin-1-ium ethanoate Openeye Name: 1-hydroxy-1-methyl-2-phenethyl-pyrrolidin-1-ium acetate CAS Name: 1-hydroxy-1-methyl-2-phenethylpyrrolidin-1-ium acetate IUPAC Name: 1-hydroxy-1-methyl-2-phenethylpyrrolidin-1-ium acetate Traditional Name: 1-hydroxy-1-methyl-2-phenethyl-pyrrolidin-1-ium acetate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C[N+]1(CCCC1CCC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)[O-].C[N+]1(CCCC1CCC2=CC=CC=C2)O

InChI

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