benzene; piperidin-1-ium; ethanoate

Systemtic Name: benzene; piperidin-1-ium; ethanoate Openeye Name: benzene; piperidin-1-ium; acetate CAS Name: benzene; piperidin-1-ium; acetate IUPAC Name: benzene; piperidin-1-ium; acetate Traditional Name: benzene; piperidin-1-ium; acetate Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1CC[NH2+]CC1.C1=CC=CC=C1

Isomeric SMILES

CC(=O)[O-].C1CC[NH2+]CC1.C1=CC=CC=C1

InChI

InChI=1S/C6H6.C5H11N.C2H4O2/c2*1-2-4-6-5-3-1;1-2(3)4/h1-6H;6H,1-5H2;1H3,(H,3,4)