(5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(3-nitrophenyl)methylene]thiazol-4-one CAS Name: (5Z)-2-(4-methyl-1-piperazin-4-iumyl)-5-[(3-nitrophenyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-methylpiperazin-4-ium-1-yl)-5-(3-nitrobenzylidene)-2-thiazolin-4-one Formula: C15H17N4O3S+ MolecularWeight: 333.38548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])S2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/S2

InChI

InChI=1S/C15H16N4O3S/c1-17-5-7-18(8-6-17)15-16-14(20)13(23-15)10-11-3-2-4-12(9-11)19(21)22/h2-4,9-10H,5-8H2,1H3/p+1/b13-10-