4-[(2-bromophenyl)methyl]piperidine; (E)-but-2-enedioic acid

Systemtic Name: 4-[(2-bromophenyl)methyl]piperidine; (E)-but-2-enedioic acid Openeye Name: 4-[(2-bromophenyl)methyl]piperidine; fumaric acid CAS Name: 4-[(2-bromophenyl)methyl]piperidine; (E)-2-butenedioic acid IUPAC Name: 4-[(2-bromophenyl)methyl]piperidine; (E)-but-2-enedioic acid Traditional Name: 4-(2-bromobenzyl)piperidine; fumaric acid Formula: C16H20BrNO4 MolecularWeight: 370.2383

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=CC=CC=C2Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1CC2=CC=CC=C2Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16BrN.C4H4O4/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10;5-3(6)1-2-4(7)8/h1-4,10,14H,5-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+