| SpectraBase Spectrum ID |
KJzDNR9B91b |
| Name |
(4R,6aR,9S)-4,9-Dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8,10a-octahydro-4H,9H-imidazo[1,2,3-ij]naphthyridin-10-ylium benzoate |
| Alternate Name(s) |
(4S,6aR,9R)-4,9-dihydroxy-4,9-dimethyl-1H,2H,4H,5H,6H,6aH,7H,8H,9H-imidazo[1,2,3-ij][1,8]naphthyridin-3-ium benzoate
4,9-Dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8,10a-octahydro-4H,9H-imidazo[1,2,3-ij]naphthyridin-10a-ylium benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H26N2O4 |
| InChI |
InChI=1S/C12H21N2O2.C7H6O2/c1-11(15)5-3-9-4-6-12(2,16)14-8-7-13(11)10(9)14;8-7(9)6-4-2-1-3-5-6/h9,15-16H,3-8H2,1-2H3;1-5H,(H,8,9)/q+1;/p-1/t9-,11-,12+; |
| InChIKey |
STUSIPXLJILLFV-FZISOCLJSA-M |
| Molecular Weight |
346.427 g/mol |
| SMILES |
C([O-])(=O)c1ccccc1.O[C@]1(N2C3=[N+]([C@](CC[C@]3(CC1)[H])(O)C)CC2)C |
| SPLASH |
splash10-000i-0900000000-6085242f5e02dbd24895 |
| Source of Spectrum |
KC-0-2091-7 |
| Wiley ID |
828613 |
![(4R,6aR,9S)-4,9-Dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8,10a-octahydro-4H,9H-imidazo[1,2,3-ij]naphthyridin-10-ylium benzoate](/api/spectrum/KJzDNR9B91b/structure.png?h=300&w=458 "(4R,6aR,9S)-4,9-Dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8,10a-octahydro-4H,9H-imidazo[1,2,3-ij]naphthyridin-10-ylium benzoate")
