1-[(3-fluorophenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium Openeye Name: 1-(1-ethylpropyl)-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-fluorophenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(1-ethylpropyl)-4-(3-fluorobenzyl)piperazine-1,4-diium Formula: C16H27FN2+2 MolecularWeight: 266.397383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)F

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H25FN2/c1-3-16(4-2)19-10-8-18(9-11-19)13-14-6-5-7-15(17)12-14/h5-7,12,16H,3-4,8-11,13H2,1-2H3/p+2