4-[4-aminocarbonyl-2,6-bis(chloranyl)phenyl]-4-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-(4-fluorophenyl)-5-pyridin-3-yl-pentyl]piperazin-4-ium-2-carboxamide trihydrochloride

Systemtic Name: 4-[4-aminocarbonyl-2,6-bis(chloranyl)phenyl]-4-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-(4-fluorophenyl)-5-pyridin-3-yl-pentyl]piperazin-4-ium-2-carboxamide trihydrochloride Openeye Name: 4-(2-amino-2-oxo-ethyl)-4-(4-carbamoyl-2,6-dichloro-phenyl)-1-[5-(4-fluorophenyl)-5-(3-pyridyl)pentyl]piperazin-4-ium-2-carboxamide trihydrochloride CAS Name: 4-(2-amino-2-oxoethyl)-4-(4-carbamoyl-2,6-dichlorophenyl)-1-[5-(4-fluorophenyl)-5-(3-pyridinyl)pentyl]-2-piperazin-4-iumcarboxamide trihydrochloride IUPAC Name: 4-(2-amino-2-oxoethyl)-4-(4-carbamoyl-2,6-dichlorophenyl)-1-[5-(4-fluorophenyl)-5-pyridin-3-ylpentyl]piperazin-4-ium-2-carboxamide trihydrochloride Traditional Name: 4-(2-amino-2-keto-ethyl)-4-(4-carbamoyl-2,6-dichloro-phenyl)-1-[5-(4-fluorophenyl)-5-(3-pyridyl)pentyl]piperazin-4-ium-2-carboxamide trihydrochloride Formula: C30H37Cl5FN6O3+ MolecularWeight: 725.916583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33Cl2FN6O3.3ClH/c31-24-14-21(29(35)41)15-25(32)28(24)39(18-27(34)40)13-12-38(26(17-39)30(36)42)11-2-1-5-23(20-4-3-10-37-16-20)19-6-8-22(33)9-7-19;;;/h3-4,6-10,14-16,23,26H,1-2,5,11-13,17-18H2,(H5-,34,35,36,40,41,42);3*1H/p+1