vanoxerine(2+)

Properties Image MNX_ID MNXM162073 reference chebi:64087 formula C28H34F2N2O global charge 2 mol weight 452.589 InChIKey NAUWTFJOPJWYOT-UHFFFAOYSA-P InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2/p+2 SMILES FC1=CC=C(C(OCC[NH+]2CC[NH+](CCCC3=CC=CC=C3)CC2)C2=CC=C(F)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 SMILES (mnx) [CH:1]1=[CH:2][CH:5]=[C:23]([CH2:7][CH2:4][CH2:16][N:31]2[CH2:17][CH2:19][N:32]([CH2:21][CH2:22][O:33][CH:28]([C:24]3=[CH:9][CH:13]=[C:26]([F:29])[CH:12]=[CH:8]3)[C:25]3=[CH:11][CH:15]=[C:27]([F:30])[CH:14]=[CH:10]3)[CH2:20][CH2:18]2)[CH:6]=[CH:3]1

Parent-child relations graph

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