(2S)-1-(6-bromanyl-2,3-dihydroindol-1-yl)propan-2-amine; (E)-but-2-enedioic acid

Systemtic Name: (2S)-1-(6-bromanyl-2,3-dihydroindol-1-yl)propan-2-amine; (E)-but-2-enedioic acid Openeye Name: (2S)-1-(6-bromoindolin-1-yl)propan-2-amine; fumaric acid CAS Name: (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)-2-propanamine; (E)-2-butenedioic acid IUPAC Name: (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine; (E)-but-2-enedioic acid Traditional Name: [(1S)-2-(6-bromoindolin-1-yl)-1-methyl-ethyl]amine; fumaric acid Formula: C26H34Br2N4O4 MolecularWeight: 626.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC2=C1C=C(C=C2)Br)N.CC(CN1CCC2=C1C=C(C=C2)Br)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[C@@H](CN1CCC2=C1C=C(C=C2)Br)N.C[C@@H](CN1CCC2=C1C=C(C=C2)Br)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C11H15BrN2.C4H4O4/c2*1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14;5-3(6)1-2-4(7)8/h2*2-3,6,8H,4-5,7,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*8-;/m00./s1