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

Systemtic Name: 2-bromanyl-4-methyl-N-(pyrrolidin-2-ylmethyl)aniline; ethanedioic acid Openeye Name: 2-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)aniline; oxalic acid CAS Name: 2-bromo-4-methyl-N-(2-pyrrolidinylmethyl)aniline; oxalic acid IUPAC Name: 2-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)aniline; oxalic acid Traditional Name: (2-bromo-4-methyl-phenyl)-(pyrrolidin-2-ylmethyl)amine; oxalic acid Formula: C16H21BrN2O8 MolecularWeight: 449.25054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2.2C2H2O4/c1-9-4-5-12(11(13)7-9)15-8-10-3-2-6-14-10;2*3-1(4)2(5)6/h4-5,7,10,14-15H,2-3,6,8H2,1H3;2*(H,3,4)(H,5,6)