(3R)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(2-morpholino-2-oxo-ethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(4-morpholinyl)-2-oxoethyl]-4-[(3-phenoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(2-morpholin-4-yl-2-oxoethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-morpholino-ethyl)-4-(3-phenoxybenzyl)piperazin-4-ium-2-one Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCOCC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCOCC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4/c27-22(25-11-13-29-14-12-25)16-21-23(28)24-9-10-26(21)17-18-5-4-8-20(15-18)30-19-6-2-1-3-7-19/h1-8,15,21H,9-14,16-17H2,(H,24,28)/p+1/t21-/m1/s1