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

Systemtic Name: 2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C19H25N4O4+ MolecularWeight: 373.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C(=O)C4CC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C(=O)C4CC4)OC

InChI

InChI=1S/C19H24N4O4/c1-26-15-9-13-14(10-16(15)27-2)20-17(21-18(13)24)11-22-5-7-23(8-6-22)19(25)12-3-4-12/h9-10,12H,3-8,11H2,1-2H3,(H,20,21,24)/p+1