ethyl 2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylate CAS Name: 5-hydroxy-2-(4-morpholin-4-iumylmethyl)-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate Traditional Name: 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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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+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H24N2O4/c1-2-28-22(26)21-18-14-17(25)8-9-19(18)24(16-6-4-3-5-7-16)20(21)15-23-10-12-27-13-11-23/h3-9,14,25H,2,10-13,15H2,1H3/p+1