(2S,6S)-1-(4-chloranyl-2-methyl-phenyl)-2,6-dimethyl-piperazin-4-ium

Systemtic Name: (2S,6S)-1-(4-chloranyl-2-methyl-phenyl)-2,6-dimethyl-piperazin-4-ium Openeye Name: (2S,6S)-1-(4-chloro-2-methyl-phenyl)-2,6-dimethyl-piperazin-4-ium CAS Name: (2S,6S)-1-(4-chloro-2-methylphenyl)-2,6-dimethylpiperazin-4-ium IUPAC Name: (2S,6S)-1-(4-chloro-2-methylphenyl)-2,6-dimethylpiperazin-4-ium Traditional Name: (2S,6S)-1-(4-chloro-2-methyl-phenyl)-2,6-dimethyl-piperazin-4-ium Formula: C13H20ClN2+ MolecularWeight: 239.7643

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CC(N1C2=C(C=C(C=C2)Cl)C)C

Isomeric SMILES

C[C@H]1C[NH2+]C[C@@H](N1C2=C(C=C(C=C2)Cl)C)C

InChI

InChI=1S/C13H19ClN2/c1-9-6-12(14)4-5-13(9)16-10(2)7-15-8-11(16)3/h4-6,10-11,15H,7-8H2,1-3H3/p+1/t10-,11-/m0/s1