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

Systemtic Name: 2-[4-[5,5-bis(4-fluorophenyl)pentyl]-1-(2,6-dimethyl-4-oxidanyl-phenyl)-2-methyl-piperazin-1-ium-1-yl]ethanamide dihydrochloride Openeye Name: 2-[4-[5,5-bis(4-fluorophenyl)pentyl]-1-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-piperazin-1-ium-1-yl]acetamide dihydrochloride CAS Name: 2-[4-[5,5-bis(4-fluorophenyl)pentyl]-1-(4-hydroxy-2,6-dimethylphenyl)-2-methyl-1-piperazin-1-iumyl]acetamide dihydrochloride IUPAC Name: 2-[4-[5,5-bis(4-fluorophenyl)pentyl]-1-(4-hydroxy-2,6-dimethylphenyl)-2-methylpiperazin-1-ium-1-yl]acetamide dihydrochloride Traditional Name: 2-[4-[5,5-bis(4-fluorophenyl)pentyl]-1-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-piperazin-1-ium-1-yl]acetamide dihydrochloride Formula: C32H42Cl2F2N3O2+ MolecularWeight: 609.597586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H39F2N3O2.2ClH/c1-22-18-29(38)19-23(2)32(22)37(21-31(35)39)17-16-36(20-24(37)3)15-5-4-6-30(25-7-11-27(33)12-8-25)26-9-13-28(34)14-10-26;;/h7-14,18-19,24,30H,4-6,15-17,20-21H2,1-3H3,(H2-,35,38,39);2*1H/p+1