1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3-methoxyphenyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-methoxyphenyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(3-methoxyphenyl)ethyl]piperidin-1-ium-4-carboxylate Formula: C15H19NO4 MolecularWeight: 277.31566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C15H19NO4/c1-20-13-4-2-3-12(9-13)14(17)10-16-7-5-11(6-8-16)15(18)19/h2-4,9,11H,5-8,10H2,1H3,(H,18,19)