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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-(3-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(=CC=C3)Br

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CC[NH+](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+2/t15-,18+/m1/s1