4-chloranyl-2-methyl-N-(pyrrolidin-2-ylmethyl)aniline; ethanedioic acid

Systemtic Name: 4-chloranyl-2-methyl-N-(pyrrolidin-2-ylmethyl)aniline; ethanedioic acid Openeye Name: 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)aniline; oxalic acid CAS Name: 4-chloro-2-methyl-N-(2-pyrrolidinylmethyl)aniline; oxalic acid IUPAC Name: 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)aniline; oxalic acid Traditional Name: (4-chloro-2-methyl-phenyl)-(pyrrolidin-2-ylmethyl)amine; oxalic acid Formula: C16H21ClN2O8 MolecularWeight: 404.79954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NCC2CCCN2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NCC2CCCN2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17ClN2.2C2H2O4/c1-9-7-10(13)4-5-12(9)15-8-11-3-2-6-14-11;2*3-1(4)2(5)6/h4-5,7,11,14-15H,2-3,6,8H2,1H3;2*(H,3,4)(H,5,6)