(4-azanyl-7-chloranyl-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (4-azanyl-7-chloranyl-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (4-amino-7-chloro-quinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (4-amino-7-chloro-2-quinazolinyl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (4-amino-7-chloroquinazolin-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (4-amino-7-chloro-quinazolin-2-yl)methyl-methyl-[4-(trifluoromethyl)benzyl]ammonium Formula: C18H17ClF3N4+ MolecularWeight: 381.80259

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(F)(F)F)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(F)(F)F)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N

InChI

InChI=1S/C18H16ClF3N4/c1-26(9-11-2-4-12(5-3-11)18(20,21)22)10-16-24-15-8-13(19)6-7-14(15)17(23)25-16/h2-8H,9-10H2,1H3,(H2,23,24,25)/p+1