[1-ethyl-1-(4-methanoylphenyl)piperidin-1-ium-2-yl] ethanoate

Systemtic Name: [1-ethyl-1-(4-methanoylphenyl)piperidin-1-ium-2-yl] ethanoate Openeye Name: [1-ethyl-1-(4-formylphenyl)piperidin-1-ium-2-yl] acetate CAS Name: acetic acid [1-ethyl-1-(4-formylphenyl)-2-piperidin-1-iumyl] ester IUPAC Name: [1-ethyl-1-(4-formylphenyl)piperidin-1-ium-2-yl] acetate Traditional Name: acetic acid [1-ethyl-1-(4-formylphenyl)piperidin-1-ium-2-yl] ester Formula: C16H22NO3+ MolecularWeight: 276.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1OC(=O)C)C2=CC=C(C=C2)C=O

Isomeric SMILES

CC[N+]1(CCCCC1OC(=O)C)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C16H22NO3/c1-3-17(15-9-7-14(12-18)8-10-15)11-5-4-6-16(17)20-13(2)19/h7-10,12,16H,3-6,11H2,1-2H3/q+1