ZINC05269872

Molecular Formula: C22H30N3O2S+


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