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

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]acetate Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])CC(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])CC(=O)N4CCOCC4

InChI

InChI=1S/C20H26N4O4/c25-18(23-9-11-28-12-10-23)14-22-5-7-24(8-6-22)19(20(26)27)16-13-21-17-4-2-1-3-15(16)17/h1-4,13,19,21H,5-12,14H2,(H,26,27)/t19-/m1/s1