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

Systemtic Name: 2-(4-oxidanylidenecinnolin-1-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-oxocinnolin-1-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-oxo-1-cinnolinyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-oxocinnolin-1-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-ketocinnolin-1-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C22H24N4O2/c27-21-14-24-26(20-6-2-1-5-19(20)21)16-22(28)23-13-17-7-9-18(10-8-17)15-25-11-3-4-12-25/h1-2,5-10,14H,3-4,11-13,15-16H2,(H,23,28)/p+1