2-[[4-(3-methoxy-4-phenylmethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3-methoxy-4-phenylmethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-benzyloxy-3-methoxy-benzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(3-methoxy-4-phenylmethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-benzoxy-3-methoxy-benzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C28H29N4O4+ MolecularWeight: 485.55426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)OCC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4/c1-35-25-17-21(11-12-24(25)36-19-20-7-3-2-4-8-20)28(34)32-15-13-31(14-16-32)18-26-29-23-10-6-5-9-22(23)27(33)30-26/h2-12,17H,13-16,18-19H2,1H3,(H,29,30,33)/p+1