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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(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+1/t15-,18+/m0/s1