(E)-but-2-enedioic acid; 2-(4-chloranyl-1H-indol-3-yl)-N,N-dimethyl-ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-chloranyl-1H-indol-3-yl)-N,N-dimethyl-ethanamine Openeye Name: 2-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine Traditional Name: 2-(4-chloro-1H-indol-3-yl)ethyl-dimethyl-amine; fumaric acid Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C(=CC=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C(=CC=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H15ClN2.C4H4O4/c1-15(2)7-6-9-8-14-11-5-3-4-10(13)12(9)11;5-3(6)1-2-4(7)8/h3-5,8,14H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+