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

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C23H27BrN3O3+ MolecularWeight: 473.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26BrN3O3/c1-3-30-23(29)22-17-13-21(28)18(24)14-19(17)25(2)20(22)15-26-9-11-27(12-10-26)16-7-5-4-6-8-16/h4-8,13-14,28H,3,9-12,15H2,1-2H3/p+1