(2R)-2-(6-bromanyl-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(6-bromanyl-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]acetate Formula: C20H25BrN4O4 MolecularWeight: 465.3409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-])CC(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-])CC(=O)N4CCOCC4

InChI

InChI=1S/C20H25BrN4O4/c21-14-1-2-15-16(12-22-17(15)11-14)19(20(27)28)25-5-3-23(4-6-25)13-18(26)24-7-9-29-10-8-24/h1-2,11-12,19,22H,3-10,13H2,(H,27,28)/t19-/m1/s1