4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)quinazoline Formula: C22H24F3N4O+ MolecularWeight: 417.44737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C22H23F3N4O/c1-30-17-9-7-16(8-10-17)15-28-11-4-12-29(14-13-28)20-18-5-2-3-6-19(18)26-21(27-20)22(23,24)25/h2-3,5-10H,4,11-15H2,1H3/p+1