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

Systemtic Name: N-(2-methylpropyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-isobutyl-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N-(2-methylpropyl)-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-(2-methylpropyl)-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: isobutyl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C14H23N4O2+ MolecularWeight: 279.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O2/c1-11(2)10-16-13-9-12(3-4-14(13)18(19)20)17-7-5-15-6-8-17/h3-4,9,11,15-16H,5-8,10H2,1-2H3/p+1