1-[(3-fluorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium CAS Name: 1-[(3-fluorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Traditional Name: 1-(3-fluorobenzyl)-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium Formula: C18H29FN2+2 MolecularWeight: 292.434663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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