2-oxidanylidene-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-3-carboxamide Openeye Name: 2-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-3-carboxamide CAS Name: 2-oxo-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1H-quinoline-3-carboxamide IUPAC Name: 2-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-3-carboxamide Traditional Name: 2-keto-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1H-quinoline-3-carboxamide Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4NC3=O

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H23N3O2/c26-21(19-13-18-5-1-2-6-20(18)24-22(19)27)23-14-16-7-9-17(10-8-16)15-25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12,14-15H2,(H,23,26)(H,24,27)/p+1