1-[(3-bromophenyl)methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[[(1R)-1-cyclohex-3-enyl]methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium Traditional Name: 1-(3-bromobenzyl)-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium Formula: C18H26BrN2+ MolecularWeight: 350.31644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1C[C@H](CC=C1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H25BrN2/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2/p+1/t16-/m0/s1