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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(2-fluorobenzyl)-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Formula: C18H28FN2+ MolecularWeight: 291.426723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH+]2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C18H27FN2/c1-15-6-2-5-9-18(15)21-12-10-20(11-13-21)14-16-7-3-4-8-17(16)19/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3/p+1/t15-,18-/m0/s1