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

Systemtic Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O2/c1-16-7-8-20(28-2)17(13-16)14-25-9-11-26(12-10-25)15-21-23-19-6-4-3-5-18(19)22(27)24-21/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)/p+2