ethyl 6-bromanyl-5-methoxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C24H29BrN3O3+ MolecularWeight: 487.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CC[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+1