2-[4-[5,5-bis(4-fluorophenyl)pentyl]-1-(2,6-dimethyl-4-phenylmethoxy-phenyl)-2-methyl-piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[5,5-bis(4-fluorophenyl)pentyl]-1-(2,6-dimethyl-4-phenylmethoxy-phenyl)-2-methyl-piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(4-benzyloxy-2,6-dimethyl-phenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-2-methyl-piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[5,5-bis(4-fluorophenyl)pentyl]-1-(2,6-dimethyl-4-phenylmethoxyphenyl)-2-methyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[5,5-bis(4-fluorophenyl)pentyl]-1-(2,6-dimethyl-4-phenylmethoxyphenyl)-2-methylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(4-benzoxy-2,6-dimethyl-phenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-2-methyl-piperazin-1-ium-1-yl]acetamide Formula: C39H46F2N3O2+ MolecularWeight: 626.798246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[N+]1(CC(=O)N)C2=C(C=C(C=C2C)OCC3=CC=CC=C3)C)CCCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC1CN(CC[N+]1(CC(=O)N)C2=C(C=C(C=C2C)OCC3=CC=CC=C3)C)CCCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C39H45F2N3O2/c1-28-23-36(46-27-31-9-5-4-6-10-31)24-29(2)39(28)44(26-38(42)45)22-21-43(25-30(44)3)20-8-7-11-37(32-12-16-34(40)17-13-32)33-14-18-35(41)19-15-33/h4-6,9-10,12-19,23-24,30,37H,7-8,11,20-22,25-27H2,1-3H3,(H-,42,45)/p+1