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

Systemtic Name: (5Z)-2-azanyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-2-amino-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylene]thiazol-4-one CAS Name: (5Z)-2-amino-5-[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methylidene]-4-thiazolone IUPAC Name: (5Z)-2-amino-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-amino-5-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]-2-thiazolin-4-one Formula: C15H18N5O3S+ MolecularWeight: 348.40012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C=C\3/C(=O)N=C(S3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3S/c1-18-4-6-19(7-5-18)11-3-2-10(8-12(11)20(22)23)9-13-14(21)17-15(16)24-13/h2-3,8-9H,4-7H2,1H3,(H2,16,17,21)/p+1/b13-9-