4-[4-azanyl-2,6-bis(chloranyl)phenyl]-4-(2-azanyl-2-oxidanylidene-ethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide trihydrochloride

Systemtic Name: 4-[4-azanyl-2,6-bis(chloranyl)phenyl]-4-(2-azanyl-2-oxidanylidene-ethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide trihydrochloride Openeye Name: 4-(4-amino-2,6-dichloro-phenyl)-4-(2-amino-2-oxo-ethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide trihydrochloride CAS Name: 4-(4-amino-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]-2-piperazin-4-iumcarboxamide trihydrochloride IUPAC Name: 4-(4-amino-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide trihydrochloride Traditional Name: 4-(4-amino-2,6-dichloro-phenyl)-4-(2-amino-2-keto-ethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide trihydrochloride Formula: C30H37Cl5F2N5O2+ MolecularWeight: 714.908886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC(N1CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N)(CC(=O)N)C4=C(C=C(C=C4Cl)N)Cl.Cl.Cl.Cl

Isomeric SMILES

C1C[N+](CC(N1CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N)(CC(=O)N)C4=C(C=C(C=C4Cl)N)Cl.Cl.Cl.Cl

InChI

InChI=1S/C30H33Cl2F2N5O2.3ClH/c31-25-15-23(35)16-26(32)29(25)39(18-28(36)40)14-13-38(27(17-39)30(37)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20;;;/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H3-,36,37,40,41);3*1H/p+1