[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazin-1-iumyl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Formula: C23H26N5O5+ MolecularWeight: 452.48304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CC[NH+](CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CC[NH+](CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC

InChI

InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)/p+1