Pipertipine

Properties Image MNX_ID MNXM129742 reference chebi:174440 formula C20H27NO3 global charge 0 mol weight 329.44 InChIKey VIQYOKDVSJLKNG-WEVVVXLNSA-N InChI InChI=1S/C20H27NO3/c22-20(21-13-7-4-8-14-21)10-6-3-1-2-5-9-17-11-12-18-19(15-17)24-16-23-18/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5+ SMILES O=C(CCCCC/C=C/C1=CC=C2OCOC2=C1)N1CCCCC1 MNX internals InChI (mnx) InChI=1/C20H27NO3/c22-20(21-13-7-4-8-14-21)10-6-3-1-2-5-9-17-11-12-18-19(15-17)24-16-23-18/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5+ SMILES (mnx) [CH2:1]([CH2:2]/[CH:5]=[CH:9]/[C:17]1=[CH:15][C:19]2=[C:18]([CH:12]=[CH:11]1)[O:23][CH2:16][O:24]2)[CH2:3][CH2:6][CH2:10][C:20]([N:21]1[CH2:13][CH2:7][CH2:4][CH2:8][CH2:14]1)=[O:22]

Parent-child relations graph

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