Dimefline hydrochloride

Properties Image MNX_ID MNXM155414 reference chebi:31495 formula C20H22ClNO3 global charge 0 mol weight 359.853 InChIKey RCISIXJGNBXXPZ-UHFFFAOYSA-N InChI InChI=1S/C20H21NO3.ClH/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14;/h5-11H,12H2,1-4H3;1H SMILES COC1=CC=C2C(=O)C(C)=C(C3=CC=CC=C3)OC2=C1CN(C)C.Cl MNX internals InChI (mnx) InChI=1/C20H21NO3.ClH/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14;/h5-11H,12H2,1-4H3;1H SMILES (mnx) [CH3:1][C:13]1=[C:19]([C:14]2=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]2)[O:24][C:20]2=[C:15]([CH:10]=[CH:11][C:17]([O:23][CH3:4])=[C:16]2[CH2:12][N:21]([CH3:2])[CH3:3])[C:18]1=[O:22].[ClH:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0