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

Systemtic Name: 1-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3,4-dichlorophenyl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3,4-dichlorophenyl)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C14H15Cl2NO3 MolecularWeight: 316.1798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H15Cl2NO3/c15-11-2-1-10(7-12(11)16)13(18)8-17-5-3-9(4-6-17)14(19)20/h1-2,7,9H,3-6,8H2,(H,19,20)