2-[[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(2R)-3-methyl-2-(4-methyl-1-piperazine-1,4-diiumyl)butyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]amino]-5-nitro-benzonitrile Formula: C17H27N5O2+2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC(C)[C@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C17H25N5O2/c1-13(2)17(21-8-6-20(3)7-9-21)12-19-16-5-4-15(22(23)24)10-14(16)11-18/h4-5,10,13,17,19H,6-9,12H2,1-3H3/p+2/t17-/m0/s1