1-(2-fluorophenyl)-4-(1-pentan-3-ylpiperidin-1-ium-4-yl)piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-(1-pentan-3-ylpiperidin-1-ium-4-yl)piperazin-4-ium Openeye Name: 1-[1-(1-ethylpropyl)piperidin-1-ium-4-yl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-(2-fluorophenyl)-4-(1-pentan-3-yl-4-piperidin-1-iumyl)piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-(1-pentan-3-ylpiperidin-1-ium-4-yl)piperazin-4-ium Traditional Name: 1-[1-(1-ethylpropyl)piperidin-1-ium-4-yl]-4-(2-fluorophenyl)piperazin-1-ium Formula: C20H34FN3+2 MolecularWeight: 335.502463

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCC(CC)[NH+]1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H32FN3/c1-3-17(4-2)22-11-9-18(10-12-22)23-13-15-24(16-14-23)20-8-6-5-7-19(20)21/h5-8,17-18H,3-4,9-16H2,1-2H3/p+2