1-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(1S)-1-methylpropyl]-4-(p-tolylmethyl)piperazin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4-methylbenzyl)-4-[(1S)-1-methylpropyl]piperazin-4-ium Formula: C16H27N2+ MolecularWeight: 247.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)CC2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C16H26N2/c1-4-15(3)18-11-9-17(10-12-18)13-16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3/p+1/t15-/m0/s1