3-(2-methoxyphenyl)-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-(2-methoxyphenyl)-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]quinazolin-4-one Openeye Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 3-(2-methoxyphenyl)-2-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-quinazolinone IUPAC Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-(2-methoxyphenyl)quinazolin-4-one Formula: C27H30N4O2+2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-33-25-14-8-7-13-24(25)31-26(28-23-12-6-5-11-22(23)27(31)32)20-30-17-15-29(16-18-30)19-21-9-3-2-4-10-21/h2-14H,15-20H2,1H3/p+2