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

Systemtic Name: N-methyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-methyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-methyl-5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-methyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: methyl-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C12H19N4O2+ MolecularWeight: 251.30486

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O2/c1-13-11-9-10(3-4-12(11)16(17)18)15-7-5-14(2)6-8-15/h3-4,9,13H,5-8H2,1-2H3/p+1