6-bromanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]thiochromen-4-one

Systemtic Name: 6-bromanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]thiochromen-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-6-bromo-thiochromen-4-one CAS Name: 6-bromo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-benzothiopyran-4-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-6-bromothiochromen-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-6-bromo-thiochromen-4-one Formula: C20H20BrN2OS+ MolecularWeight: 416.3546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H19BrN2OS/c21-16-6-7-19-17(12-16)20(24)18(14-25-19)23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2/p+1