4-[[4-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-morpholino-4-oxo-butanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(4-morpholinyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-morpholin-4-yl-4-oxobutanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-keto-4-morpholino-butanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCC(=O)N3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCC(=O)N3CCOCC3

InChI

InChI=1S/C20H26N4O3/c21-15-17-1-3-18(4-2-17)16-22-7-9-23(10-8-22)19(25)5-6-20(26)24-11-13-27-14-12-24/h1-4H,5-14,16H2/p+1