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

Systemtic Name: 2-[2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

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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=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=CC=CC=C4O

InChI

InChI=1S/C21H23N5O3/c22-19(28)13-26-20(23-16-6-2-1-5-15(16)21(26)29)14-24-9-11-25(12-10-24)17-7-3-4-8-18(17)27/h1-8,27H,9-14H2,(H2,22,28)/p+1