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

Systemtic Name: 1-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-ethylphenyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-ethylphenyl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-ethylphenyl)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C16H21NO3/c1-2-12-3-5-13(6-4-12)15(18)11-17-9-7-14(8-10-17)16(19)20/h3-6,14H,2,7-11H2,1H3,(H,19,20)