(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C21H18ClFN3OS+ MolecularWeight: 414.903523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C21H17ClFN3OS/c1-25(12-16-17(22)8-4-9-18(16)23)13-26-21(27)15-7-3-2-6-14(15)20(24-26)19-10-5-11-28-19/h2-11H,12-13H2,1H3/p+1