1-[(4-bromophenyl)methyl]-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(4-bromobenzyl)-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Formula: C18H28BrN2+ MolecularWeight: 352.33232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2/c1-15-4-2-3-5-18(15)21-12-10-20(11-13-21)14-16-6-8-17(19)9-7-16/h6-9,15,18H,2-5,10-14H2,1H3/p+1/t15-,18-/m0/s1