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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-[2,6-bis(chloranyl)-4-nitro-phenyl]-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]-4-(2,6-dichloro-4-nitro-phenyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]-4-(2,6-dichloro-4-nitrophenyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]-4-(2,6-dichloro-4-nitrophenyl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]-4-(2,6-dichloro-4-nitro-phenyl)piperazin-4-ium-2-carboxamide Formula: C30H32Cl2F2N5O4+ MolecularWeight: 635.508986

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+](=O)[O-])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+](=O)[O-])Cl

InChI

InChI=1S/C30H31Cl2F2N5O4/c31-25-15-23(38(42)43)16-26(32)29(25)39(18-28(35)40)14-13-37(27(17-39)30(36)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,1-3,12-14,17-18H2,(H3-,35,36,40,41)/p+1