1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(p-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(4-methylbenzyl)piperazine-1,4-diium Formula: C19H30N2+2 MolecularWeight: 286.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3CCC=CC3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C[C@H]3CCC=CC3

InChI

InChI=1S/C19H28N2/c1-17-7-9-19(10-8-17)16-21-13-11-20(12-14-21)15-18-5-3-2-4-6-18/h2-3,7-10,18H,4-6,11-16H2,1H3/p+2/t18-/m1/s1