Methantheline

Properties Image MNX_ID MNXM61627 reference chebi:6817 formula C21H26NO3 global charge 1 mol weight 340.443 InChIKey GZHFODJQISUKAY-UHFFFAOYSA-N InChI InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1 SMILES CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1 SMILES (mnx) [CH3:1][CH2:4][N+:22]([CH3:3])([CH2:5][CH3:2])[CH2:14][CH2:15][O:24][C:21]([CH:20]1[C:16]2=[CH:10][CH:6]=[CH:8][CH:12]=[C:18]2[O:25][C:19]2=[CH:13][CH:9]=[CH:7][CH:11]=[C:17]21)=[O:23]

Parent-child relations graph

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