1-[(3-bromophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(3-bromobenzyl)-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C18H28BrN2+ MolecularWeight: 352.33232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H27BrN2/c1-15-4-2-7-18(12-15)21-10-8-20(9-11-21)14-16-5-3-6-17(19)13-16/h3,5-6,13,15,18H,2,4,7-12,14H2,1H3/p+1/t15-,18-/m0/s1