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

Systemtic Name: 2-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]benzoate Openeye Name: 2-[[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]methyl]benzoate CAS Name: 2-[[methyl-(1-methyl-4-piperidin-1-iumyl)ammonio]methyl]benzoate IUPAC Name: 2-[[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]methyl]benzoate Traditional Name: 2-[[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]methyl]benzoate Formula: C15H23N2O2+ MolecularWeight: 263.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H22N2O2/c1-16-9-7-13(8-10-16)17(2)11-12-5-3-4-6-14(12)15(18)19/h3-6,13H,7-11H2,1-2H3,(H,18,19)/p+1