2,6-dimethyl-N-[2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]quinoline-3-carboxamide

Systemtic Name: 2,6-dimethyl-N-[2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]quinoline-3-carboxamide Openeye Name: N-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-2,6-dimethyl-quinoline-3-carboxamide CAS Name: N-[2-[(3S)-3-hydroxy-1-piperidin-1-iumyl]ethyl]-2,6-dimethyl-3-quinolinecarboxamide IUPAC Name: N-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-2,6-dimethylquinoline-3-carboxamide Traditional Name: N-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-2,6-dimethyl-quinoline-3-carboxamide Formula: C19H26N3O2+ MolecularWeight: 328.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NCC[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NCC[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C19H25N3O2/c1-13-5-6-18-15(10-13)11-17(14(2)21-18)19(24)20-7-9-22-8-3-4-16(23)12-22/h5-6,10-11,16,23H,3-4,7-9,12H2,1-2H3,(H,20,24)/p+1/t16-/m0/s1