ethyl 6-bromanyl-5-methoxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C24H30BrN3O3+2 MolecularWeight: 488.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C24H28BrN3O3/c1-4-31-24(29)23-18-14-22(30-3)19(25)15-20(18)28(17-8-6-5-7-9-17)21(23)16-27-12-10-26(2)11-13-27/h5-9,14-15H,4,10-13,16H2,1-3H3/p+2