1-(2-chloranyl-4-nitro-phenyl)-3,5-dimethyl-piperazin-4-ium chloride

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-3,5-dimethyl-piperazin-4-ium chloride Openeye Name: 1-(2-chloro-4-nitro-phenyl)-3,5-dimethyl-piperazin-4-ium chloride CAS Name: 1-(2-chloro-4-nitrophenyl)-3,5-dimethylpiperazin-4-ium chloride IUPAC Name: 1-(2-chloro-4-nitrophenyl)-3,5-dimethylpiperazin-4-ium chloride Traditional Name: 1-(2-chloro-4-nitro-phenyl)-3,5-dimethyl-piperazin-4-ium chloride Formula: C12H17Cl2N3O2 MolecularWeight: 306.18828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-]

Isomeric SMILES

CC1CN(CC([NH2+]1)C)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-]

InChI

InChI=1S/C12H16ClN3O2.ClH/c1-8-6-15(7-9(2)14-8)12-4-3-10(16(17)18)5-11(12)13;/h3-5,8-9,14H,6-7H2,1-2H3;1H