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

Systemtic Name: 2-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-4-carboxamide Openeye Name: 2-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-4-carboxamide CAS Name: 2-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-quinoline-4-carboxamide IUPAC Name: 2-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-quinoline-4-carboxamide Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O2/c27-22-14-20(19-6-2-3-7-21(19)25-22)23(28)24-15-17-8-10-18(11-9-17)16-26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15-16H2,(H,24,28)(H,25,27)/p+1