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

Systemtic Name: 2-[2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C23H27N5O3/c1-2-31-20-10-6-5-9-19(20)27-13-11-26(12-14-27)16-22-25-18-8-4-3-7-17(18)23(30)28(22)15-21(24)29/h3-10H,2,11-16H2,1H3,(H2,24,29)/p+1