N-ethyl-2-nitro-5-piperazin-4-ium-1-yl-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

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