4-[[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]methyl]benzonitrile Formula: C25H29N4O3S+ MolecularWeight: 465.58776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H28N4O3S/c26-17-20-5-7-21(8-6-20)19-33-23-4-2-1-3-22(23)25(31)29-11-9-27(10-12-29)18-24(30)28-13-15-32-16-14-28/h1-8H,9-16,18-19H2/p+1