(2S,6S)-2,6-dimethyl-1-[(2-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: (2S,6S)-2,6-dimethyl-1-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: (2S,6S)-2,6-dimethyl-1-(o-tolylmethyl)piperazin-4-ium CAS Name: (2S,6S)-2,6-dimethyl-1-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: (2S,6S)-2,6-dimethyl-1-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: (2S,6S)-2,6-dimethyl-1-(2-methylbenzyl)piperazin-4-ium Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CC(N1CC2=CC=CC=C2C)C

Isomeric SMILES

C[C@H]1C[NH2+]C[C@@H](N1CC2=CC=CC=C2C)C

InChI

InChI=1S/C14H22N2/c1-11-6-4-5-7-14(11)10-16-12(2)8-15-9-13(16)3/h4-7,12-13,15H,8-10H2,1-3H3/p+1/t12-,13-/m0/s1