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

Systemtic Name: 6-(1-methylpyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine chloride hydrochloride Openeye Name: N-(4-benzyloxyphenyl)-6-(1-methylpyridin-1-ium-2-yl)quinazolin-4-amine chloride hydrochloride CAS Name: 6-(1-methyl-2-pyridin-1-iumyl)-N-(4-phenylmethoxyphenyl)-4-quinazolinamine chloride hydrochloride IUPAC Name: 6-(1-methylpyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine chloride hydrochloride Traditional Name: (4-benzoxyphenyl)-[6-(1-methylpyridin-1-ium-2-yl)quinazolin-4-yl]amine chloride hydrochloride Formula: C27H24Cl2N4O MolecularWeight: 491.41166

Click to see the large picture

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.Cl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O.2ClH/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;2*1H