1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(3-fluorophenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(3-fluorobenzyl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C18H29FN2+2 MolecularWeight: 292.434663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H27FN2/c19-17-7-5-6-16(14-17)15-20-12-8-18(9-13-20)21-10-3-1-2-4-11-21/h5-7,14,18H,1-4,8-13,15H2/p+2