3-(4-oxidanylidenecinnolin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-oxidanylidenecinnolin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-oxocinnolin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-oxo-1-cinnolinyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-oxocinnolin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-ketocinnolin-1-yl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C23H26N4O2/c28-22-16-25-27(21-10-4-3-9-20(21)22)14-11-23(29)24-15-18-7-1-2-8-19(18)17-26-12-5-6-13-26/h1-4,7-10,16H,5-6,11-15,17H2,(H,24,29)/p+1