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

Systemtic Name: 2-[2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-yl]acetamide Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C22H25N5O3/c1-30-19-9-5-4-8-18(19)26-12-10-25(11-13-26)15-21-24-17-7-3-2-6-16(17)22(29)27(21)14-20(23)28/h2-9H,10-15H2,1H3,(H2,23,28)/p+1