4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]-3-nitro-benzonitrile Formula: C17H22N5O4+ MolecularWeight: 360.38768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c18-12-14-1-2-15(16(11-14)22(24)25)20-5-3-19(4-6-20)13-17(23)21-7-9-26-10-8-21/h1-2,11H,3-10,13H2/p+1