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

Systemtic Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-phenyl-piperazin-4-ium-1-carboxamide hydrochloride Openeye Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-phenyl-piperazin-4-ium-1-carboxamide hydrochloride CAS Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-phenyl-1-piperazin-4-iumcarboxamide hydrochloride IUPAC Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-phenylpiperazin-4-ium-1-carboxamide hydrochloride Traditional Name: 4-[4,4-bis(4-fluorophenyl)butyl]-4-phenyl-piperazin-4-ium-1-carboxamide hydrochloride Formula: C27H31ClF2N3O+ MolecularWeight: 487.004346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C(=O)N)(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl

Isomeric SMILES

C1C[N+](CCN1C(=O)N)(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H29F2N3O.ClH/c28-23-12-8-21(9-13-23)26(22-10-14-24(29)15-11-22)7-4-18-32(25-5-2-1-3-6-25)19-16-31(17-20-32)27(30)33;/h1-3,5-6,8-15,26H,4,7,16-20H2,(H-,30,33);1H/p+1