2-(4-bromophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone; (E)-but-2-enedioic acid

Systemtic Name: 2-(4-bromophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone; (E)-but-2-enedioic acid Openeye Name: 2-(4-bromophenyl)-1-[2-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone; fumaric acid CAS Name: 2-(4-bromophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone; (E)-2-butenedioic acid IUPAC Name: 2-(4-bromophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone; (E)-but-2-enedioic acid Traditional Name: 2-(4-bromophenyl)-1-[2-(pyrrolidinomethyl)piperidino]ethanone; fumaric acid Formula: C22H29BrN2O5 MolecularWeight: 481.38006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=C(C=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=C(C=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H25BrN2O.C4H4O4/c19-16-8-6-15(7-9-16)13-18(22)21-12-2-1-5-17(21)14-20-10-3-4-11-20;5-3(6)1-2-4(7)8/h6-9,17H,1-5,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+