2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-amine

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: [2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C23H26N5O3+ MolecularWeight: 420.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4)N)OC

InChI

InChI=1S/C23H25N5O3/c1-29-19-11-15-17(12-20(19)30-2)25-21(27-22(15)24)13-28-9-7-14(8-10-28)23-26-16-5-3-4-6-18(16)31-23/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,24,25,27)/p+1