3-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate

Systemtic Name: 3-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate Openeye Name: 3-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate CAS Name: 3-[3-(4-methyl-1-piperidin-1-iumyl)propoxy]benzoate IUPAC Name: 3-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate Formula: C16H23NO3 MolecularWeight: 277.35872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-13-6-9-17(10-7-13)8-3-11-20-15-5-2-4-14(12-15)16(18)19/h2,4-5,12-13H,3,6-11H2,1H3,(H,18,19)