2-[4-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C25H32N5O4+ MolecularWeight: 466.55268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC)C

InChI

InChI=1S/C25H31N5O4/c1-16-6-5-7-19(17(16)2)27-24(31)15-30-10-8-29(9-11-30)14-23-26-20-13-22(34-4)21(33-3)12-18(20)25(32)28-23/h5-7,12-13H,8-11,14-15H2,1-4H3,(H,27,31)(H,26,28,32)/p+1