(E)-but-2-enedioic acid; N,N-dimethyl-3-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-amine Openeye Name: 3-(4-benzylpiperazin-1-yl)-N,N-dimethyl-3-phenyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanamine IUPAC Name: 3-(4-benzylpiperazin-1-yl)-N,N-dimethyl-3-phenylpropan-1-amine; (E)-but-2-enedioic acid Traditional Name: [3-(4-benzylpiperazino)-3-phenyl-propyl]-dimethyl-amine; fumaric acid Formula: C34H43N3O12 MolecularWeight: 685.71812

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=CC=C1)N2CCN(CC2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCC(N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H31N3.3C4H4O4/c1-23(2)14-13-22(21-11-7-4-8-12-21)25-17-15-24(16-18-25)19-20-9-5-3-6-10-20;3*5-3(6)1-2-4(7)8/h3-12,22H,13-19H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1+