4-chloranyl-N-[3-(1H-imidazol-5-yl)propyl]aniline; ethanedioic acid

Systemtic Name: 4-chloranyl-N-[3-(1H-imidazol-5-yl)propyl]aniline; ethanedioic acid Openeye Name: 4-chloro-N-[3-(1H-imidazol-5-yl)propyl]aniline; oxalic acid CAS Name: 4-chloro-N-[3-(1H-imidazol-5-yl)propyl]aniline; oxalic acid IUPAC Name: 4-chloro-N-[3-(1H-imidazol-5-yl)propyl]aniline; oxalic acid Traditional Name: (4-chlorophenyl)-[3-(1H-imidazol-5-yl)propyl]amine; oxalic acid Formula: C14H16ClN3O4 MolecularWeight: 325.74754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCCC2=CN=CN2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1NCCCC2=CN=CN2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H14ClN3.C2H2O4/c13-10-3-5-11(6-4-10)15-7-1-2-12-8-14-9-16-12;3-1(4)2(5)6/h3-6,8-9,15H,1-2,7H2,(H,14,16);(H,3,4)(H,5,6)