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

Systemtic Name: ethyl 2-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 2-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)methyl]-5-hydroxy-1-phenyl-indole-3-carboxylate CAS Name: 2-[(4-ethoxycarbonyl-4-phenyl-1-piperidin-1-iumyl)methyl]-5-hydroxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)methyl]-5-hydroxy-1-phenylindole-3-carboxylate Traditional Name: 2-[(4-carbethoxy-4-phenyl-piperidin-1-ium-1-yl)methyl]-5-hydroxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C32H35N2O5+ MolecularWeight: 527.6307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C[NH+]4CCC(CC4)(C5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C[NH+]4CCC(CC4)(C5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C32H34N2O5/c1-3-38-30(36)29-26-21-25(35)15-16-27(26)34(24-13-9-6-10-14-24)28(29)22-33-19-17-32(18-20-33,31(37)39-4-2)23-11-7-5-8-12-23/h5-16,21,35H,3-4,17-20,22H2,1-2H3/p+1