1-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1S)-1-methylpropyl]-4-(p-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-methylbenzyl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](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+2/t15-/m0/s1