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

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-2-carboxamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-2-carboxamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-quinolinecarboxamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-2-carboxamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]quinaldamide Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O/c27-23(22-13-12-18-8-4-5-11-21(18)25-22)24-16-19-9-2-3-10-20(19)17-26-14-6-1-7-15-26/h2-5,8-13H,1,6-7,14-17H2,(H,24,27)/p+1