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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2/c1-15-3-2-4-18(13-15)21-11-9-20(10-12-21)14-16-5-7-17(19)8-6-16/h5-8,15,18H,2-4,9-14H2,1H3/p+2/t15-,18+/m1/s1