(5E)-5-[(4-bromophenyl)methylidene]-2-[(3S)-3-methylpiperazin-4-ium-1-yl]-1,3-thiazol-4-one

Systemtic Name: (5E)-5-[(4-bromophenyl)methylidene]-2-[(3S)-3-methylpiperazin-4-ium-1-yl]-1,3-thiazol-4-one Openeye Name: (5E)-5-[(4-bromophenyl)methylene]-2-[(3S)-3-methylpiperazin-4-ium-1-yl]thiazol-4-one CAS Name: (5E)-5-[(4-bromophenyl)methylidene]-2-[(3S)-3-methyl-1-piperazin-4-iumyl]-4-thiazolone IUPAC Name: (5E)-5-[(4-bromophenyl)methylidene]-2-[(3S)-3-methylpiperazin-4-ium-1-yl]-1,3-thiazol-4-one Traditional Name: (5E)-5-(4-bromobenzylidene)-2-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-thiazolin-4-one Formula: C15H17BrN3OS+ MolecularWeight: 367.28398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=NC(=O)C(=CC3=CC=C(C=C3)Br)S2

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=NC(=O)/C(=C\C3=CC=C(C=C3)Br)/S2

InChI

InChI=1S/C15H16BrN3OS/c1-10-9-19(7-6-17-10)15-18-14(20)13(21-15)8-11-2-4-12(16)5-3-11/h2-5,8,10,17H,6-7,9H2,1H3/p+1/b13-8+/t10-/m0/s1