6-(1-methylpyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

Systemtic Name: 6-(1-methylpyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-6-(1-methylpyridin-1-ium-2-yl)quinazolin-4-amine CAS Name: 6-(1-methyl-2-pyridin-1-iumyl)-N-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 6-(1-methylpyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: (4-benzoxyphenyl)-[6-(1-methylpyridin-1-ium-2-yl)quinazolin-4-yl]amine Formula: C27H23N4O+ MolecularWeight: 419.49772

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C[N+]1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O/c1-31-16-6-5-9-26(31)21-10-15-25-24(17-21)27(29-19-28-25)30-22-11-13-23(14-12-22)32-18-20-7-3-2-4-8-20/h2-17,19H,18H2,1H3/p+1