ethyl 6-bromanyl-5-methoxy-2-methyl-1-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-methyl-1-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-5-methoxy-2-methyl-indole-3-carboxylate CAS Name: 6-bromo-1-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-5-methoxy-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-5-methoxy-2-methylindole-3-carboxylate Traditional Name: 6-bromo-1-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-5-methoxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H28BrN2O5+ MolecularWeight: 456.35072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O5/c1-4-28-20(25)19-13(2)23(12-14(24)11-22-5-7-27-8-6-22)17-10-16(21)18(26-3)9-15(17)19/h9-10,14,24H,4-8,11-12H2,1-3H3/p+1/t14-/m0/s1