tetramethylchloromethylrosamine

Properties Image MNX_ID MNXM161513 reference chebi:9494 formula C24H24ClN2O global charge 1 mol weight 391.922 InChIKey XUDZMIGAJMGETI-UHFFFAOYSA-N InChI InChI=1S/C24H24ClN2O/c1-26(2)18-9-11-20-22(13-18)28-23-14-19(27(3)4)10-12-21(23)24(20)17-7-5-16(15-25)6-8-17/h5-14H,15H2,1-4H3/q+1 SMILES CN(C)C1=CC=C2C(=C1)OC1=CC(=[N+](C)C)C=CC1=C2C1=CC=C(CCl)C=C1 MNX internals InChI (mnx) InChI=1/C24H24ClN2O/c1-26(2)18-9-11-20-22(13-18)28-23-14-19(27(3)4)10-12-21(23)24(20)17-7-5-16(15-25)6-8-17/h5-14H,15H2,1-4H3/q+1 SMILES (mnx) [CH3:1][N:26]([CH3:2])[C:18]1=[CH:13][C:22]2=[C:20]([CH:11]=[CH:9]1)[C:24]([C:17]1=[CH:8][CH:6]=[C:16]([CH2:15][Cl:25])[CH:5]=[CH:7]1)=[C:21]1[CH:12]=[CH:10][C:19]([N:27]([CH3:3])[CH3:4])=[CH:14][C:23]1=[O+:28]2

Parent-child relations graph

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