methyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: methyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: methyl-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: methyl-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: [1-keto-4-(2-thienyl)phthalazin-2-yl]methyl-methyl-[4-(trifluoromethyl)benzyl]ammonium Formula: C22H19F3N3OS+ MolecularWeight: 430.46597

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(F)(F)F)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(F)(F)F)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C22H18F3N3OS/c1-27(13-15-8-10-16(11-9-15)22(23,24)25)14-28-21(29)18-6-3-2-5-17(18)20(26-28)19-7-4-12-30-19/h2-12H,13-14H2,1H3/p+1