4-[4,4-bis(4-fluorophenyl)butyl]-4-ethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-ethyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-ethylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-ethyl-piperazin-4-ium-1-carboxamide Formula: C23H30F2N3O+ MolecularWeight: 402.500606

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(=O)N)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC[N+]1(CCN(CC1)C(=O)N)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H29F2N3O/c1-2-28(16-13-27(14-17-28)23(26)29)15-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H-,26,29)/p+1