2-(4-oxidanylidenequinazolin-3-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-oxidanylidenequinazolin-3-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-oxo-3-quinazolinyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-ketoquinazolin-3-yl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H26N4O2/c28-22(16-27-17-25-21-11-5-4-10-20(21)23(27)29)24-14-18-8-2-3-9-19(18)15-26-12-6-1-7-13-26/h2-5,8-11,17H,1,6-7,12-16H2,(H,24,28)/p+1