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

Systemtic Name: ethyl 6-bromanyl-2-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)methyl]-5-hydroxy-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-2-[(4-ethoxycarbonyl-4-phenyl-1-piperidin-1-iumyl)methyl]-5-hydroxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)methyl]-5-hydroxy-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-2-[(4-carbethoxy-4-phenyl-piperidin-1-ium-1-yl)methyl]-5-hydroxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C32H34BrN2O5+ MolecularWeight: 606.52676

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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+]4CCC(CC4)(C5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C32H33BrN2O5/c1-3-39-30(37)29-24-19-28(36)25(33)20-26(24)35(23-13-9-6-10-14-23)27(29)21-34-17-15-32(16-18-34,31(38)40-4-2)22-11-7-5-8-12-22/h5-14,19-20,36H,3-4,15-18,21H2,1-2H3/p+1