2-[methyl-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[methyl-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[methyl-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[methyl-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[methyl-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-methyl-amino]-5-nitro-benzonitrile Formula: C15H20N5O3+ MolecularWeight: 318.351

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H19N5O3/c1-17-5-7-19(8-6-17)15(21)11-18(2)14-4-3-13(20(22)23)9-12(14)10-16/h3-4,9H,5-8,11H2,1-2H3/p+1