4-[[4-[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(1R)-2-morpholino-2-oxo-1-phenyl-ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(1R)-2-keto-2-morpholino-1-phenyl-ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C24H30N4O2+2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)[C@H](C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C24H28N4O2/c25-18-20-6-8-21(9-7-20)19-26-10-12-27(13-11-26)23(22-4-2-1-3-5-22)24(29)28-14-16-30-17-15-28/h1-9,23H,10-17,19H2/p+2/t23-/m1/s1