1-(2,5-dimethylphenyl)-5-(2-furylmethyl)-1,3-diaza-5-azoniacyclohexane-2-thione
Molecular Formula:
C
16
H
20
N
3
OS
+
InChI:
InChI=1/C16H19N3OS/c1-12-5-6-13(2)15(8-12)19-11-18(10-17-16(19)21)9-14-4-3-7-20-14/h3-8H,9-11H2,1-2H3,(H,17,21)/p+1/fC16H20N3OS/h17-18H/q+1
InChIKey:
InChIKey=ACQHHFDUCCLQMS-IBQODJAWCF
SMILES:
CC1=CC(=C(C=C1)C)N2C[NH+](CNC2=S)CC3=CC=CO3
Names:
1-(2,5-dimethylphenyl)-5-(2-furylmethyl)-1,3-diaza-5-azoniacyclohexane-2-thione
Registries:
PubChem CID 3556112
PubChem ID 4809955