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

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-chloranylcyclohexyl)-N,N-dimethyl-3-piperidin-2-yl-propan-1-amine Openeye Name: 3-(4-chlorocyclohexyl)-N,N-dimethyl-3-(2-piperidyl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(4-chlorocyclohexyl)-N,N-dimethyl-3-(2-piperidinyl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(4-chlorocyclohexyl)-N,N-dimethyl-3-piperidin-2-ylpropan-1-amine Traditional Name: [3-(4-chlorocyclohexyl)-3-(2-piperidyl)propyl]-dimethyl-amine; fumaric acid Formula: C20H35ClN2O4 MolecularWeight: 402.9559

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1CCC(CC1)Cl)C2CCCCN2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC(C1CCC(CC1)Cl)C2CCCCN2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H31ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h13-16,18H,3-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+