2-[4-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]phenyl]ethanoate

Systemtic Name: 2-[4-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]phenyl]ethanoate Openeye Name: 2-[4-[[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]methyl]phenyl]acetate CAS Name: 2-[4-[[methyl-(1-methyl-4-piperidin-1-iumyl)ammonio]methyl]phenyl]acetate IUPAC Name: 2-[4-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]phenyl]acetate Traditional Name: 2-[4-[[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]methyl]phenyl]acetate Formula: C16H25N2O2+ MolecularWeight: 277.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C16H24N2O2/c1-17-9-7-15(8-10-17)18(2)12-14-5-3-13(4-6-14)11-16(19)20/h3-6,15H,7-12H2,1-2H3,(H,19,20)/p+1