1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-(2-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidin-1-iumyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-[1-(3-bromobenzyl)piperidin-1-ium-4-yl]-4-(2-fluorophenyl)piperazin-1-ium Formula: C22H29BrFN3+2 MolecularWeight: 434.388163

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3F)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3F)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H27BrFN3/c23-19-5-3-4-18(16-19)17-25-10-8-20(9-11-25)26-12-14-27(15-13-26)22-7-2-1-6-21(22)24/h1-7,16,20H,8-15,17H2/p+2