(2,4-dichlorophenyl) 1-carbamimidoylpiperidine-3-carboxylate hydrochloride

Systemtic Name: (2,4-dichlorophenyl) 1-carbamimidoylpiperidine-3-carboxylate hydrochloride Openeye Name: (2,4-dichlorophenyl) 1-carbamimidoylpiperidine-3-carboxylate hydrochloride CAS Name: 1-carbamimidoyl-3-piperidinecarboxylic acid (2,4-dichlorophenyl) ester hydrochloride IUPAC Name: (2,4-dichlorophenyl) 1-carbamimidoylpiperidine-3-carboxylate hydrochloride Traditional Name: 1-amidinonipecotic acid (2,4-dichlorophenyl) ester hydrochloride Formula: C13H16Cl3N3O2 MolecularWeight: 352.64404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)C(=O)OC2=C(C=C(C=C2)Cl)Cl.Cl

Isomeric SMILES

C1CC(CN(C1)C(=N)N)C(=O)OC2=C(C=C(C=C2)Cl)Cl.Cl

InChI

InChI=1S/C13H15Cl2N3O2.ClH/c14-9-3-4-11(10(15)6-9)20-12(19)8-2-1-5-18(7-8)13(16)17;/h3-4,6,8H,1-2,5,7H2,(H3,16,17);1H