victoria blue B

Properties Image MNX_ID MNXM162117 reference chebi:87651 formula C33H32ClN3 global charge 0 mol weight 506.093 InChIKey LLWJPGAKXJBKKA-UHFFFAOYSA-N InChI InChI=1S/C33H31N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H SMILES CN(C)C1=CC=C(C(C2=CC=C(NC3=CC=CC=C3)C3=CC=CC=C32)=C2C=CC(=[N+](C)C)C=C2)C=C1.[Cl-] MNX internals InChI (mnx) InChI=1/C33H31N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H/b34-32?; SMILES (mnx) [CH3:1][N:35]([CH3:2])[C:27]1=[CH:19][CH:15]=[C:24]([C:33]([C:25]2=[CH:17][CH:21]=[C:28]([N:36]([CH3:3])[CH3:4])[CH:20]=[CH:16]2)=[C:31]2[CH:22]=[CH:23][C:32](=[N:34][C:26]3=[CH:10][CH:6]=[CH:5][CH:7]=[CH:11]3)[C:30]3=[CH:13][CH:9]=[CH:8][CH:12]=[C:29]32)[CH:14]=[CH:18]1.[ClH:37]

Parent-child relations graph

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