ZINC05269872
Molecular Formula:
C
22
H
30
N
3
O
2
S
+
InChI:
InChI=1/C22H29N3O2S/c1-16-4-6-17(7-5-16)20-23-19-14-22(2,3)27-15-18(19)21(24-20)28-13-10-25-8-11-26-12-9-25/h4-7H,8-15H2,1-3H3/p+1/fC22H30N3O2S/h25H/q+1
InChIKey:
InChIKey=IXFMJQHBLSWBFK-NNQDNEPECM
SMILES:
CC1=CC=C(C=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC[NH+]4CCOCC4
Names:
ZINC05269872
3,3-dimethyl-9-(4-methylphenyl)-7-[2-(1-oxa-4-azoniacyclohex-4-yl)ethylsulfanyl]-4-oxa-8,10-diazabicyclo[4.4.0]deca-7,9,11-triene
Registries:
PubChem CID 7598491
PubChem ID 12878148