(4-chlorophenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride

Systemtic Name: (4-chlorophenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Openeye Name: (4-chlorophenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride CAS Name: 1-carbamimidoyl-4-piperidinecarboxylic acid (4-chlorophenyl) ester hydrochloride IUPAC Name: (4-chlorophenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Traditional Name: 1-amidinoisonipecotic acid (4-chlorophenyl) ester hydrochloride Formula: C13H17Cl2N3O2 MolecularWeight: 318.19898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)Cl)C(=N)N.Cl

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)Cl)C(=N)N.Cl

InChI

InChI=1S/C13H16ClN3O2.ClH/c14-10-1-3-11(4-2-10)19-12(18)9-5-7-17(8-6-9)13(15)16;/h1-4,9H,5-8H2,(H3,15,16);1H