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

Systemtic Name: ethyl 1-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-1-methyl-2-(4-morpholin-4-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Traditional Name: 5-hydroxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C[NH+]3CCOCC3

InChI

InChI=1S/C17H22N2O4/c1-3-23-17(21)16-13-10-12(20)4-5-14(13)18(2)15(16)11-19-6-8-22-9-7-19/h4-5,10,20H,3,6-9,11H2,1-2H3/p+1