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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(3-fluorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(3-fluorobenzyl)-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C18H28FN2+ MolecularWeight: 291.426723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H27FN2/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+1/t15-,18-/m0/s1