1-[(3-bromophenyl)methyl]-4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(1S,2R)-2-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(3-bromobenzyl)-4-[(1S,2R)-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(=CC=C3)Br

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1[NH+]2CCN(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+1/t15-,18+/m1/s1