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

Systemtic Name: 2-[2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C21H23ClN5O2+ MolecularWeight: 412.89262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O2/c22-15-4-3-5-16(12-15)26-10-8-25(9-11-26)14-20-24-18-7-2-1-6-17(18)21(29)27(20)13-19(23)28/h1-7,12H,8-11,13-14H2,(H2,23,28)/p+1