(2Z)-2-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylidene]-1-benzothiophen-3-one

Systemtic Name: (2Z)-2-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylidene]-1-benzothiophen-3-one Openeye Name: (2Z)-2-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylene]benzothiophen-3-one CAS Name: (2Z)-2-[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methylidene]-1-benzothiophen-3-one IUPAC Name: (2Z)-2-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methylidene]-1-benzothiophen-3-one Traditional Name: (2Z)-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]benzothiophen-3-one Formula: C20H20N3O3S+ MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)C4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C=C\3/C(=O)C4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-21-8-10-22(11-9-21)16-7-6-14(12-17(16)23(25)26)13-19-20(24)15-4-2-3-5-18(15)27-19/h2-7,12-13H,8-11H2,1H3/p+1/b19-13-