1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(2-chloro-5-nitro-benzyl)-4-methyl-piperazine-1,4-diium Formula: C12H18ClN3O2+2 MolecularWeight: 271.74322

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H16ClN3O2/c1-14-4-6-15(7-5-14)9-10-8-11(16(17)18)2-3-12(10)13/h2-3,8H,4-7,9H2,1H3/p+2