To-Pro-1(2+)

Properties Image MNX_ID MNXM161675 reference chebi:52927 formula C24H29N3S global charge 2 mol weight 391.584 InChIKey BCTNMRNAMOIDHS-UHFFFAOYSA-N InChI InChI=1S/C24H29N3S/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21/h5-8,10-14,16,18H,9,15,17H2,1-4H3/q+2 SMILES C[N+]1=C(C=C2C=CN(CCC[N+](C)(C)C)C3=C2C=CC=C3)SC2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C24H29N3S/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21/h5-8,10-14,16,18H,9,15,17H2,1-4H3/q+2 SMILES (mnx) [CH3:1][N+:25]1=[C:24]([CH:18]=[C:19]2[CH:14]=[CH:16][N:26]([CH2:15][CH2:9][CH2:17][N+:27]([CH3:2])([CH3:3])[CH3:4])[C:21]3=[CH:11][CH:6]=[CH:5][CH:10]=[C:20]23)[S:28][C:23]2=[CH:13][CH:8]=[CH:7][CH:12]=[C:22]21

Parent-child relations graph

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