(E)-but-2-enedioic acid; N,N-dimethyl-3-(4-methylpiperazin-1-yl)-3-phenyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-(4-methylpiperazin-1-yl)-3-phenyl-propan-1-amine Openeye Name: N,N-dimethyl-3-(4-methylpiperazin-1-yl)-3-phenyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-(4-methyl-1-piperazinyl)-3-phenyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-(4-methylpiperazin-1-yl)-3-phenylpropan-1-amine Traditional Name: dimethyl-[3-(4-methylpiperazino)-3-phenyl-propyl]amine; fumaric acid Formula: C28H39N3O12 MolecularWeight: 609.62216

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CCN(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CC=CC=C2)CCN(C)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/C16H27N3.3C4H4O4/c1-17(2)10-9-16(15-7-5-4-6-8-15)19-13-11-18(3)12-14-19;3*5-3(6)1-2-4(7)8/h4-8,16H,9-14H2,1-3H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1+