6-bromanyl-3-(4-ethylpiperazin-4-ium-1-yl)thiochromen-4-one

Systemtic Name: 6-bromanyl-3-(4-ethylpiperazin-4-ium-1-yl)thiochromen-4-one Openeye Name: 6-bromo-3-(4-ethylpiperazin-4-ium-1-yl)thiochromen-4-one CAS Name: 6-bromo-3-(4-ethyl-1-piperazin-4-iumyl)-1-benzothiopyran-4-one IUPAC Name: 6-bromo-3-(4-ethylpiperazin-4-ium-1-yl)thiochromen-4-one Traditional Name: 6-bromo-3-(4-ethylpiperazin-4-ium-1-yl)thiochromen-4-one Formula: C15H18BrN2OS+ MolecularWeight: 354.28522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C15H17BrN2OS/c1-2-17-5-7-18(8-6-17)13-10-20-14-4-3-11(16)9-12(14)15(13)19/h3-4,9-10H,2,5-8H2,1H3/p+1