4-(2-azanyl-2-oxidanylidene-ethyl)-4-[2,6-bis(chloranyl)-4-ethanoyl-phenyl]-1-[4-[bis(4-fluorophenyl)amino]butyl]-N-methyl-piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-[2,6-bis(chloranyl)-4-ethanoyl-phenyl]-1-[4-[bis(4-fluorophenyl)amino]butyl]-N-methyl-piperazin-4-ium-2-carboxamide Openeye Name: 4-(4-acetyl-2,6-dichloro-phenyl)-4-(2-amino-2-oxo-ethyl)-1-[4-(4-fluoro-N-(4-fluorophenyl)anilino)butyl]-N-methyl-piperazin-4-ium-2-carboxamide CAS Name: 4-(4-acetyl-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-1-[4-(4-fluoro-N-(4-fluorophenyl)anilino)butyl]-N-methyl-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(4-acetyl-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-1-[4-(4-fluoro-N-(4-fluorophenyl)anilino)butyl]-N-methylpiperazin-4-ium-2-carboxamide Traditional Name: 4-(4-acetyl-2,6-dichloro-phenyl)-4-(2-amino-2-keto-ethyl)-1-[4-(4-fluoro-N-(4-fluorophenyl)anilino)butyl]-N-methyl-piperazin-4-ium-2-carboxamide Formula: C32H36Cl2F2N5O3+ MolecularWeight: 647.562746

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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)NC)CCCCN(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC(=O)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C32H35Cl2F2N5O3/c1-21(42)22-17-27(33)31(28(34)18-22)41(20-30(37)43)16-15-39(29(19-41)32(44)38-2)13-3-4-14-40(25-9-5-23(35)6-10-25)26-11-7-24(36)8-12-26/h5-12,17-18,29H,3-4,13-16,19-20H2,1-2H3,(H2-,37,38,43,44)/p+1