2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C

InChI

InChI=1S/C23H27N5O2/c1-16-6-5-9-20(17(16)2)27-12-10-26(11-13-27)15-22-25-19-8-4-3-7-18(19)23(30)28(22)14-21(24)29/h3-9H,10-15H2,1-2H3,(H2,24,29)/p+1