1-[1-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-ium-1-yl]-3-phenylazanyl-propan-2-ol

Systemtic Name: 1-[1-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-ium-1-yl]-3-phenylazanyl-propan-2-ol Openeye Name: 1-anilino-3-[1-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-ium-1-yl]propan-2-ol CAS Name: 1-anilino-3-[1-[4,4-bis(4-fluorophenyl)butyl]-1-piperazin-1-iumyl]-2-propanol IUPAC Name: 1-anilino-3-[1-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-ium-1-yl]propan-2-ol Traditional Name: 1-anilino-3-[1-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-ium-1-yl]propan-2-ol Formula: C29H36F2N3O+ MolecularWeight: 480.612446

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CNC4=CC=CC=C4)O

Isomeric SMILES

C1C[N+](CCN1)(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CNC4=CC=CC=C4)O

InChI

InChI=1S/C29H36F2N3O/c30-25-12-8-23(9-13-25)29(24-10-14-26(31)15-11-24)7-4-18-34(19-16-32-17-20-34)22-28(35)21-33-27-5-2-1-3-6-27/h1-3,5-6,8-15,28-29,32-33,35H,4,7,16-22H2/q+1