1-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1,4-diium

Systemtic Name: 1-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1,4-diium Openeye Name: 1-[(1S)-1-(p-tolyl)ethyl]piperazine-1,4-diium CAS Name: 1-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1,4-diium IUPAC Name: 1-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1,4-diium Traditional Name: 1-[(1S)-1-(p-tolyl)ethyl]piperazine-1,4-diium Formula: C13H22N2+2 MolecularWeight: 206.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)[NH+]2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C)[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C13H20N2/c1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15/h3-6,12,14H,7-10H2,1-2H3/p+2/t12-/m0/s1