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

Systemtic Name: (3S,5S)-1-(2-chloranyl-5-nitro-phenyl)-3,5-dimethyl-piperazin-4-ium Openeye Name: (3S,5S)-1-(2-chloro-5-nitro-phenyl)-3,5-dimethyl-piperazin-4-ium CAS Name: (3S,5S)-1-(2-chloro-5-nitrophenyl)-3,5-dimethylpiperazin-4-ium IUPAC Name: (3S,5S)-1-(2-chloro-5-nitrophenyl)-3,5-dimethylpiperazin-4-ium Traditional Name: (3S,5S)-1-(2-chloro-5-nitro-phenyl)-3,5-dimethyl-piperazin-4-ium Formula: C12H17ClN3O2+ MolecularWeight: 270.73528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CN(C[C@@H]([NH2+]1)C)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H16ClN3O2/c1-8-6-15(7-9(2)14-8)12-5-10(16(17)18)3-4-11(12)13/h3-5,8-9,14H,6-7H2,1-2H3/p+1/t8-,9-/m0/s1