(2S)-2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(5-quinolyl)propionamide Formula: C23H24N3O2+ MolecularWeight: 374.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCC(=CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCC(=CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H23N3O2/c1-16(23(28)25-22-6-2-5-21-20(22)4-3-13-24-21)26-14-11-18(12-15-26)17-7-9-19(27)10-8-17/h2-11,13,16,27H,12,14-15H2,1H3,(H,25,28)/p+1/t16-/m0/s1