ethyl 5-acetyloxy-6-bromanyl-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate dihydrochloride

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate dihydrochloride Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate dihydrochloride CAS Name: 5-acetyloxy-6-bromo-2-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylindole-3-carboxylate dihydrochloride Traditional Name: 5-acetoxy-6-bromo-2-[[4-(2-hydroxyethyl)piperazino]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester dihydrochloride Formula: C21H30BrCl2N3O5 MolecularWeight: 555.29

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O5.2ClH/c1-4-29-21(28)20-15-11-19(30-14(2)27)16(22)12-17(15)23(3)18(20)13-25-7-5-24(6-8-25)9-10-26;;/h11-12,26H,4-10,13H2,1-3H3;2*1H