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

Systemtic Name: 2-oxidanylidene-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-3-carboxamide Openeye Name: 2-oxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-3-carboxamide CAS Name: 2-oxo-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-quinoline-3-carboxamide IUPAC Name: 2-oxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinoline-3-carboxamide Traditional Name: 2-keto-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-quinoline-3-carboxamide Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC4=CC=CC=C4NC3=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC4=CC=CC=C4NC3=O

InChI

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