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

Systemtic Name: 2-(4-oxidanylidenecinnolin-1-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-oxocinnolin-1-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-oxo-1-cinnolinyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-oxocinnolin-1-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-ketocinnolin-1-yl)-N-[4-(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=C(C=C2)CNC(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

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