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

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-ethanol ethanoate Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-ethanol acetate CAS Name: 2-(1-methyl-1-piperidin-1-iumyl)-1-phenylethanol acetate IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenylethanol acetate Traditional Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-ethanol acetate Formula: C16H25NO3 MolecularWeight: 279.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C[N+]1(CCCCC1)CC(C2=CC=CC=C2)O

Isomeric SMILES

CC(=O)[O-].C[N+]1(CCCCC1)CC(C2=CC=CC=C2)O

InChI

InChI=1S/C14H22NO.C2H4O2/c1-15(10-6-3-7-11-15)12-14(16)13-8-4-2-5-9-13;1-2(3)4/h2,4-5,8-9,14,16H,3,6-7,10-12H2,1H3;1H3,(H,3,4)/q+1;/p-1