5-bromanyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole; (E)-but-2-enedioic acid

Systemtic Name: 5-bromanyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole; (E)-but-2-enedioic acid Openeye Name: 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole; fumaric acid CAS Name: 5-bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole; (E)-2-butenedioic acid IUPAC Name: 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole; (E)-but-2-enedioic acid Traditional Name: 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole; fumaric acid Formula: C18H21BrN2O4 MolecularWeight: 409.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CC2=CNC3=C2C=C(C=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H17BrN2.C4H4O4/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14;5-3(6)1-2-4(7)8/h4-5,8-9,12,16H,2-3,6-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-;/m1./s1