N,N-bis(2-chloroethyl)-3-(piperidin-1-ylmethyl)aniline; ethanedioic acid

Systemtic Name: N,N-bis(2-chloroethyl)-3-(piperidin-1-ylmethyl)aniline; ethanedioic acid Openeye Name: N,N-bis(2-chloroethyl)-3-(1-piperidylmethyl)aniline; oxalic acid CAS Name: N,N-bis(2-chloroethyl)-3-(1-piperidinylmethyl)aniline; oxalic acid IUPAC Name: N,N-bis(2-chloroethyl)-3-(piperidin-1-ylmethyl)aniline; oxalic acid Traditional Name: bis(2-chloroethyl)-[3-(piperidinomethyl)phenyl]amine; oxalic acid Formula: C18H26Cl2N2O4 MolecularWeight: 405.31604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)N(CCCl)CCCl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)N(CCCl)CCCl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24Cl2N2.C2H2O4/c17-7-11-20(12-8-18)16-6-4-5-15(13-16)14-19-9-2-1-3-10-19;3-1(4)2(5)6/h4-6,13H,1-3,7-12,14H2;(H,3,4)(H,5,6)