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

Systemtic Name: ethyl 6-bromanyl-5-oxidanyl-1-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C28H29BrN3O3+ MolecularWeight: 535.45216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28BrN3O3/c1-2-35-28(34)27-22-17-26(33)23(29)18-24(22)32(21-11-7-4-8-12-21)25(27)19-30-13-15-31(16-14-30)20-9-5-3-6-10-20/h3-12,17-18,33H,2,13-16,19H2,1H3/p+1