hexadecyl-[2-[(4-methoxyphenyl)methyl-(2-pyrimidinyl)amino]ethyl]-dimethylammonium

Properties Image MNX_ID MNXM526246 reference chebi:94514 formula C32H55N4O global charge 1 mol weight 511.819 InChIKey IOYZYMQFUSNATM-UHFFFAOYSA-N InChI InChI=1S/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30/h19-25H,5-18,26-29H2,1-4H3/q+1 SMILES CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(OC)C=C1)C1=NC=CC=N1 MNX internals InChI (mnx) InChI=1/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30/h19-25H,5-18,26-29H2,1-4H3/q+1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:27][N+:36]([CH3:2])([CH3:3])[CH2:28][CH2:26][N:35]([CH2:29][C:30]1=[CH:21][CH:23]=[C:31]([O:37][CH3:4])[CH:22]=[CH:20]1)[C:32]1=[N:33][CH:24]=[CH:19][CH:25]=[N:34]1

Parent-child relations graph

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