1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3,4-dichlorobenzyl)piperidin-1-ium-4-carboxylate Formula: C13H15Cl2NO2 MolecularWeight: 288.1697

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO2/c14-11-2-1-9(7-12(11)15)8-16-5-3-10(4-6-16)13(17)18/h1-2,7,10H,3-6,8H2,(H,17,18)