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

Systemtic Name: (2R)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CC(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CC(=O)N5CCOCC5

InChI

InChI=1S/C26H30N4O4/c31-22(29-14-16-34-17-15-29)18-28-10-12-30(13-11-28)25(26(32)33)23-20-8-4-5-9-21(20)27-24(23)19-6-2-1-3-7-19/h1-9,25,27H,10-18H2,(H,32,33)/t25-/m1/s1