1-[4-[(2-chloranyl-5-nitro-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2-chloranyl-5-nitro-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2-chloro-5-nitro-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2-chloro-5-nitrophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2-chloro-5-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2-chloro-5-nitro-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C13H17ClN3O3+ MolecularWeight: 298.74538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O3/c1-10(18)16-6-4-15(5-7-16)9-11-8-12(17(19)20)2-3-13(11)14/h2-3,8H,4-7,9H2,1H3/p+1