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

Systemtic Name: 2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one Formula: C20H24N4O+2 MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O/c25-20-17-8-4-5-9-18(17)21-19(22-20)15-24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,22,25)/p+2