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

Systemtic Name: ethyl 6-bromanyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C24H28BrN2O3+ MolecularWeight: 472.39472

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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+]4CCCCC4C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C[NH+]4CCCC[C@H]4C

InChI

InChI=1S/C24H27BrN2O3/c1-3-30-24(29)23-18-13-22(28)19(25)14-20(18)27(17-10-5-4-6-11-17)21(23)15-26-12-8-7-9-16(26)2/h4-6,10-11,13-14,16,28H,3,7-9,12,15H2,1-2H3/p+1/t16-/m1/s1