ethyl 6-bromanyl-1-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-(4-morpholin-4-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C17H22BrN2O4+ MolecularWeight: 398.27158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[NH+]3CCOCC3

InChI

InChI=1S/C17H21BrN2O4/c1-3-24-17(22)16-11-8-15(21)12(18)9-13(11)19(2)14(16)10-20-4-6-23-7-5-20/h8-9,21H,3-7,10H2,1-2H3/p+1