N-(1,3-benzodioxol-5-yl)-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-3-quinazolinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O4/c28-22(24-16-8-9-19-20(12-16)31-15-30-19)14-27-21(13-26-10-4-1-5-11-26)25-18-7-3-2-6-17(18)23(27)29/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,24,28)/p+1