(E)-but-2-enedioic acid; 2-(4-chloranyl-5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-chloranyl-5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine Openeye Name: 2-(4-chloro-5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(4-chloro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(4-chloro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine Traditional Name: 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethyl-dimethyl-amine; fumaric acid Formula: C17H21ClN2O5 MolecularWeight: 368.81204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O.C4H4O4/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10;5-3(6)1-2-4(7)8/h4-5,8,15H,6-7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+