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

Systemtic Name: 2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]benzonitrile Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H22N4O2/c18-13-15-3-1-2-4-16(15)20-7-5-19(6-8-20)14-17(22)21-9-11-23-12-10-21/h1-4H,5-12,14H2/p+1