(2S,6S)-1-(3-chloranyl-2-methyl-phenyl)-2,6-dimethyl-piperazin-4-ium

Systemtic Name: (2S,6S)-1-(3-chloranyl-2-methyl-phenyl)-2,6-dimethyl-piperazin-4-ium Openeye Name: (2S,6S)-1-(3-chloro-2-methyl-phenyl)-2,6-dimethyl-piperazin-4-ium CAS Name: (2S,6S)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazin-4-ium IUPAC Name: (2S,6S)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazin-4-ium Traditional Name: (2S,6S)-1-(3-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(=CC=C2)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2/c1-9-7-15-8-10(2)16(9)13-6-4-5-12(14)11(13)3/h4-6,9-10,15H,7-8H2,1-3H3/p+1/t9-,10-/m0/s1