N-(2,2-dimethylpropyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: N-(2,2-dimethylpropyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-(2,2-dimethylpropyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N-(2,2-dimethylpropyl)-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-(2,2-dimethylpropyl)-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: neopentyl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C15H25N4O2+ MolecularWeight: 293.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CNC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C15H24N4O2/c1-15(2,3)11-17-13-10-12(4-5-14(13)19(20)21)18-8-6-16-7-9-18/h4-5,10,16-17H,6-9,11H2,1-3H3/p+1