(S)-N-methyltetrahydropapaverine

Properties Image MNX_ID MNXM59800 reference chebi:195218 formula C21H28NO4 global charge 1 mol weight 358.458 InChIKey KGPAYJZAMGEDIQ-KRWDZBQOSA-O InChI InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/p+1/t17-/m0/s1 SMILES COC1=CC2=C(C=C1OC)[C@H](CC1=CC(OC)=C(OC)C=C1)[NH+](C)CC2 MNX internals InChI (mnx) InChI=1/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-/m0/s1 SMILES (mnx) [CH3:1][N:22]1[CH2:9][CH2:8][C:15]2=[CH:12][C:20]([O:25][CH3:4])=[C:21]([O:26][CH3:5])[CH:13]=[C:16]2[C@@H:17]1[CH2:10][C:14]1=[CH:11][C:19]([O:24][CH3:3])=[C:18]([O:23][CH3:2])[CH:7]=[CH:6]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0