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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-[2,6-bis(chloranyl)-4-ethanoyl-phenyl]-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide dihydrochloride Openeye Name: 4-(4-acetyl-2,6-dichloro-phenyl)-4-(2-amino-2-oxo-ethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide dihydrochloride CAS Name: 4-(4-acetyl-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]-2-piperazin-4-iumcarboxamide dihydrochloride IUPAC Name: 4-(4-acetyl-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide dihydrochloride Traditional Name: 4-(4-acetyl-2,6-dichloro-phenyl)-4-(2-amino-2-keto-ethyl)-1-[5,5-bis(4-fluorophenyl)pentyl]piperazin-4-ium-2-carboxamide dihydrochloride Formula: C32H37Cl4F2N4O3+ MolecularWeight: 705.469986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1)Cl)[N+]2(CCN(C(C2)C(=O)N)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC(=O)N)Cl.Cl.Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1)Cl)[N+]2(CCN(C(C2)C(=O)N)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC(=O)N)Cl.Cl.Cl

InChI

InChI=1S/C32H34Cl2F2N4O3.2ClH/c1-20(41)23-16-27(33)31(28(34)17-23)40(19-30(37)42)15-14-39(29(18-40)32(38)43)13-3-2-4-26(21-5-9-24(35)10-6-21)22-7-11-25(36)12-8-22;;/h5-12,16-17,26,29H,2-4,13-15,18-19H2,1H3,(H3-,37,38,42,43);2*1H/p+1