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

Systemtic Name: 1-[4-(1-azanylethyl)-2,6-bis(chloranyl)phenyl]-1-(2-azanyl-2-oxidanylidene-ethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]piperazin-1-ium-2-carboxamide Openeye Name: 1-[4-(1-aminoethyl)-2,6-dichloro-phenyl]-1-(2-amino-2-oxo-ethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]piperazin-1-ium-2-carboxamide CAS Name: 1-[4-(1-aminoethyl)-2,6-dichlorophenyl]-1-(2-amino-2-oxoethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-2-piperazin-1-iumcarboxamide IUPAC Name: 1-[4-(1-aminoethyl)-2,6-dichlorophenyl]-1-(2-amino-2-oxoethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]piperazin-1-ium-2-carboxamide Traditional Name: 1-[4-(1-aminoethyl)-2,6-dichloro-phenyl]-1-(2-amino-2-keto-ethyl)-4-[5,5-bis(4-fluorophenyl)pentyl]piperazin-1-ium-2-carboxamide Formula: C32H38Cl2F2N5O2+ MolecularWeight: 633.579226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C(=C1)Cl)[N+]2(CCN(CC2C(=O)N)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC(=O)N)Cl)N

Isomeric SMILES

CC(C1=CC(=C(C(=C1)Cl)[N+]2(CCN(CC2C(=O)N)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC(=O)N)Cl)N

InChI

InChI=1S/C32H37Cl2F2N5O2/c1-20(37)23-16-27(33)31(28(34)17-23)41(19-30(38)42)15-14-40(18-29(41)32(39)43)13-3-2-4-26(21-5-9-24(35)10-6-21)22-7-11-25(36)12-8-22/h5-12,16-17,20,26,29H,2-4,13-15,18-19,37H2,1H3,(H3-,38,39,42,43)/p+1