6,7-dimethoxy-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-28-19-12-17-18(13-20(19)29-2)23-21(24-22(17)27)15-26-10-8-25(9-11-26)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,24,27)/p+1