5-benzyl-1-(2,3-dimethylphenyl)-1,3-diaza-5-azoniacyclohexane-2-thione
Molecular Formula:
C
18
H
22
N
3
S
+
InChI:
InChI=1/C18H21N3S/c1-14-7-6-10-17(15(14)2)21-13-20(12-19-18(21)22)11-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,19,22)/p+1/fC18H22N3S/h19-20H/q+1
InChIKey:
InChIKey=VMQKSAZVYAPUEP-OFNLVGPOCB
SMILES:
CC1=C(C(=CC=C1)N2C[NH+](CNC2=S)CC3=CC=CC=C3)C
Names:
5-benzyl-1-(2,3-dimethylphenyl)-1,3-diaza-5-azoniacyclohexane-2-thione
Registries:
PubChem CID 3546590
PubChem ID 4793155