3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-thiochroman-4-one; oxalic acid
Molecular Formula:
C
23
H
26
N
2
O
5
S
InChI:
InChI=1/C21H24N2OS.C2H2O4/c1-22-11-13-23(14-12-22)15-18-20(24)17-9-5-6-10-19(17)25-21(18)16-7-3-2-4-8-16;3-1(4)2(5)6/h2-10,18,21H,11-15H2,1H3;(H,3,4)(H,5,6)/f/h;3,5H
InChIKey:
InChIKey=VRYFGVGZRRUWBZ-OMSGVYSPCM
SMILES:
CN1CCN(CC1)CC2C(SC3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=O)(C(=O)O)O
Names:
3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-thiochroman-4-one; oxalic acid
Registries:
PubChem CID 2825263
PubChem ID 3286098