[3-(3-bromanylphenoxy)azetidin-1-yl]-(4-methylpiperazin-1-yl)methanone; (E)-but-2-enedioic acid

Systemtic Name: [3-(3-bromanylphenoxy)azetidin-1-yl]-(4-methylpiperazin-1-yl)methanone; (E)-but-2-enedioic acid Openeye Name: [3-(3-bromophenoxy)azetidin-1-yl]-(4-methylpiperazin-1-yl)methanone; fumaric acid CAS Name: [3-(3-bromophenoxy)-1-azetidinyl]-(4-methyl-1-piperazinyl)methanone; (E)-2-butenedioic acid IUPAC Name: [3-(3-bromophenoxy)azetidin-1-yl]-(4-methylpiperazin-1-yl)methanone; (E)-but-2-enedioic acid Traditional Name: [3-(3-bromophenoxy)azetidin-1-yl]-(4-methylpiperazino)methanone; fumaric acid Formula: C19H24BrN3O6 MolecularWeight: 470.31436

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)N2CC(C2)OC3=CC(=CC=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)N2CC(C2)OC3=CC(=CC=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20BrN3O2.C4H4O4/c1-17-5-7-18(8-6-17)15(20)19-10-14(11-19)21-13-4-2-3-12(16)9-13;5-3(6)1-2-4(7)8/h2-4,9,14H,5-8,10-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+