2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H30N4O3+2 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OC)OC

InChI

InChI=1S/C23H28N4O3/c1-16-12-20(29-2)21(30-3)13-17(16)14-26-8-10-27(11-9-26)15-22-24-19-7-5-4-6-18(19)23(28)25-22/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,25,28)/p+2