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

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-chloranyl-5-propoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine Openeye Name: 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N,N-dimethylethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N,N-dimethylethanamine Traditional Name: 2-(4-chloro-5-propoxy-1H-indol-3-yl)ethyl-dimethyl-amine; fumaric acid Formula: C34H46Cl2N4O6 MolecularWeight: 677.65824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C1)NC=C2CCN(C)C)Cl.CCCOC1=C(C2=C(C=C1)NC=C2CCN(C)C)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCOC1=C(C2=C(C=C1)NC=C2CCN(C)C)Cl.CCCOC1=C(C2=C(C=C1)NC=C2CCN(C)C)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C15H21ClN2O.C4H4O4/c2*1-4-9-19-13-6-5-12-14(15(13)16)11(10-17-12)7-8-18(2)3;5-3(6)1-2-4(7)8/h2*5-6,10,17H,4,7-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+