1-(3-bromophenyl)-2-piperidin-1-yl-propan-1-one; (E)-but-2-enedioic acid

Systemtic Name: 1-(3-bromophenyl)-2-piperidin-1-yl-propan-1-one; (E)-but-2-enedioic acid Openeye Name: 1-(3-bromophenyl)-2-(1-piperidyl)propan-1-one; fumaric acid CAS Name: 1-(3-bromophenyl)-2-(1-piperidinyl)-1-propanone; (E)-2-butenedioic acid IUPAC Name: 1-(3-bromophenyl)-2-piperidin-1-ylpropan-1-one; (E)-but-2-enedioic acid Traditional Name: 1-(3-bromophenyl)-2-piperidino-propan-1-one; fumaric acid Formula: C18H22BrNO5 MolecularWeight: 412.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Br)N2CCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Br)N2CCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18BrNO.C4H4O4/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12;5-3(6)1-2-4(7)8/h5-7,10-11H,2-4,8-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+