[2-methyl-1-(3-oxidanylpropyl)piperidin-1-ium-1-yl] benzoate

Systemtic Name: [2-methyl-1-(3-oxidanylpropyl)piperidin-1-ium-1-yl] benzoate Openeye Name: [1-(3-hydroxypropyl)-2-methyl-piperidin-1-ium-1-yl] benzoate CAS Name: benzoic acid [1-(3-hydroxypropyl)-2-methyl-1-piperidin-1-iumyl] ester IUPAC Name: [1-(3-hydroxypropyl)-2-methylpiperidin-1-ium-1-yl] benzoate Traditional Name: benzoic acid [1-(3-hydroxypropyl)-2-methyl-piperidin-1-ium-1-yl] ester Formula: C16H24NO3+ MolecularWeight: 278.36666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1(CCCO)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1CCCC[N+]1(CCCO)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H24NO3/c1-14-8-5-6-11-17(14,12-7-13-18)20-16(19)15-9-3-2-4-10-15/h2-4,9-10,14,18H,5-8,11-13H2,1H3/q+1