4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C26H26N5O+ MolecularWeight: 424.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C26H25N5O/c1-2-6-23-22(5-1)26(29-25(28-23)21-4-3-10-27-17-21)31-13-11-30(12-14-31)18-19-7-8-24-20(16-19)9-15-32-24/h1-8,10,16-17H,9,11-15,18H2/p+1