1-[(3-bromophenyl)methyl]-4-[(1R,2R)-2-methylcyclohexyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(1R,2R)-2-methylcyclohexyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(1R,2R)-2-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(1R,2R)-2-methylcyclohexyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(1R,2R)-2-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine-1,4-diium Formula: C18H29BrN2+2 MolecularWeight: 353.34026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2/c1-15-5-2-3-8-18(15)21-11-9-20(10-12-21)14-16-6-4-7-17(19)13-16/h4,6-7,13,15,18H,2-3,5,8-12,14H2,1H3/p+2/t15-,18-/m1/s1