6,7-dimethoxy-2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one Formula: C23H30N4O4+2 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C23H28N4O4/c1-29-17-6-4-16(5-7-17)14-26-8-10-27(11-9-26)15-22-24-19-13-21(31-3)20(30-2)12-18(19)23(28)25-22/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,25,28)/p+2