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

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C23H33N4O4+ MolecularWeight: 429.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)OC

InChI

InChI=1S/C23H32N4O4/c1-30-19-13-17-18(14-20(19)31-2)24-21(25-22(17)28)15-26-11-7-16(8-12-26)23(29)27-9-5-3-4-6-10-27/h13-14,16H,3-12,15H2,1-2H3,(H,24,25,28)/p+1