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

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate hydrochloride Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate hydrochloride CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(4-phenyl-1-piperazinyl)methyl]-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate hydrochloride Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-[(4-phenylpiperazino)methyl]indole-3-carboxylic acid ethyl ester hydrochloride Formula: C23H27BrClN3O3 MolecularWeight: 508.83578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CN3CCN(CC3)C4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CN3CCN(CC3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H26BrN3O3.ClH/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;1H