2-[2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C23H31N5O3/c24-20(29)15-28-21(25-19-8-4-3-7-18(19)23(28)31)16-26-13-9-17(10-14-26)22(30)27-11-5-1-2-6-12-27/h3-4,7-8,17H,1-2,5-6,9-16H2,(H2,24,29)/p+1