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

Systemtic Name: 3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-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)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O2/c28-22(12-11-21-25-20-10-4-3-9-19(20)23(29)26-21)24-15-17-7-1-2-8-18(17)16-27-13-5-6-14-27/h1-4,7-10H,5-6,11-16H2,(H,24,28)(H,25,26,29)/p+1