2-(4-chloranyl-5-phenoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine; ethanedioic acid

Systemtic Name: 2-(4-chloranyl-5-phenoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine; ethanedioic acid Openeye Name: 2-(4-chloro-5-phenoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-(4-chloro-5-phenoxy-1H-indol-3-yl)-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-(4-chloro-5-phenoxy-1H-indol-3-yl)-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-(4-chloro-5-phenoxy-1H-indol-3-yl)ethyl-dimethyl-amine; oxalic acid Formula: C20H21ClN2O5 MolecularWeight: 404.84414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C(=C(C=C2)OC3=CC=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C(=C(C=C2)OC3=CC=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19ClN2O.C2H2O4/c1-21(2)11-10-13-12-20-15-8-9-16(18(19)17(13)15)22-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-9,12,20H,10-11H2,1-2H3;(H,3,4)(H,5,6)