N,N-bis(2-chloroethyl)-4-(piperidin-1-ylmethyl)aniline; ethanedioic acid

Systemtic Name: N,N-bis(2-chloroethyl)-4-(piperidin-1-ylmethyl)aniline; ethanedioic acid Openeye Name: N,N-bis(2-chloroethyl)-4-(1-piperidylmethyl)aniline; oxalic acid CAS Name: N,N-bis(2-chloroethyl)-4-(1-piperidinylmethyl)aniline; oxalic acid IUPAC Name: N,N-bis(2-chloroethyl)-4-(piperidin-1-ylmethyl)aniline; oxalic acid Traditional Name: bis(2-chloroethyl)-[4-(piperidinomethyl)phenyl]amine; oxalic acid Formula: C18H26Cl2N2O4 MolecularWeight: 405.31604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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