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

Systemtic Name: (2R)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(6-benzyloxy-1H-indol-3-yl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(6-benzoxy-1H-indol-3-yl)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]acetate Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-])CC(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-])CC(=O)N5CCOCC5

InChI

InChI=1S/C27H32N4O5/c32-25(30-12-14-35-15-13-30)18-29-8-10-31(11-9-29)26(27(33)34)23-17-28-24-16-21(6-7-22(23)24)36-19-20-4-2-1-3-5-20/h1-7,16-17,26,28H,8-15,18-19H2,(H,33,34)/t26-/m1/s1