1-(2-azanyl-2-oxidanylidene-ethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-(5-fluoranyl-2-methyl-phenyl)piperazin-1-ium-2-carboxamide

Systemtic Name: 1-(2-azanyl-2-oxidanylidene-ethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-(5-fluoranyl-2-methyl-phenyl)piperazin-1-ium-2-carboxamide Openeye Name: 1-(2-amino-2-oxo-ethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-(5-fluoro-2-methyl-phenyl)piperazin-1-ium-2-carboxamide CAS Name: 1-(2-amino-2-oxoethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-(5-fluoro-2-methylphenyl)-2-piperazin-1-iumcarboxamide IUPAC Name: 1-(2-amino-2-oxoethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-(5-fluoro-2-methylphenyl)piperazin-1-ium-2-carboxamide Traditional Name: 1-(2-amino-2-keto-ethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-(5-fluoro-2-methyl-phenyl)piperazin-1-ium-2-carboxamide Formula: C31H36F3N4O2+ MolecularWeight: 553.63835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)[N+]2(CCN(CC2C(=O)N)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)F)[N+]2(CCN(CC2C(=O)N)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC(=O)N

InChI

InChI=1S/C31H35F3N4O2/c1-21-5-10-26(34)18-28(21)38(20-30(35)39)17-16-37(19-29(38)31(36)40)15-3-2-4-27(22-6-11-24(32)12-7-22)23-8-13-25(33)14-9-23/h5-14,18,27,29H,2-4,15-17,19-20H2,1H3,(H3-,35,36,39,40)/p+1