1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

Properties Image MNX_ID MNXM341040 reference chebi:103864 formula C22H23F2N2O global charge 1 mol weight 369.435 InChIKey XVVQRDYLCFKZMM-UHFFFAOYSA-N InChI InChI=1S/C22H23F2N2O/c1-16-6-8-17(9-7-16)20-15-26(21-5-3-2-4-14-25(20)21)18-10-12-19(13-11-18)27-22(23)24/h6-13,15,22H,2-5,14H2,1H3/q+1 SMILES CC1=CC=C(C2=CN(C3=CC=C(OC(F)F)C=C3)C3=[N+]2CCCCC3)C=C1 MNX internals InChI (mnx) InChI=1/C22H23F2N2O/c1-16-6-8-17(9-7-16)20-15-26(21-5-3-2-4-14-25(20)21)18-10-12-19(13-11-18)27-22(23)24/h6-13,15,22H,2-5,14H2,1H3/q+1 SMILES (mnx) [CH3:1][C:16]1=[CH:7][CH:9]=[C:17]([C:20]2=[CH:15][N:26]([C:18]3=[CH:11][CH:13]=[C:19]([O:27][CH:22]([F:23])[F:24])[CH:12]=[CH:10]3)[C:21]3=[N+:25]2[CH2:14][CH2:4][CH2:2][CH2:3][CH2:5]3)[CH:8]=[CH:6]1

Parent-child relations graph

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