5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C11H17N4O2+ MolecularWeight: 237.27828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3/p+1