6,7-dimethoxy-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C24H30N4O3+2 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C24H28N4O3/c1-30-21-15-19-20(16-22(21)31-2)25-23(26-24(19)29)17-28-13-11-27(12-14-28)10-6-9-18-7-4-3-5-8-18/h3-9,15-16H,10-14,17H2,1-2H3,(H,25,26,29)/p+2/b9-6+