2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methyl-5-oxidanylidene-7,8-dihydro-6H-quinazolin-2-yl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methyl-5-oxidanylidene-7,8-dihydro-6H-quinazolin-2-yl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-keto-4-methyl-7,8-dihydro-6H-quinazolin-2-yl)acetamide Formula: C21H25ClN5O2+ MolecularWeight: 414.9085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CCC2)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)CCC2)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H24ClN5O2/c1-14-20-17(6-3-7-18(20)28)24-21(23-14)25-19(29)13-26-8-10-27(11-9-26)16-5-2-4-15(22)12-16/h2,4-5,12H,3,6-11,13H2,1H3,(H,23,24,25,29)/p+1