N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[4-(2,4-dichlorophenyl)-2-thiazolyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C21H20Cl2N5O3S+ MolecularWeight: 493.3862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19Cl2N5O3S/c1-26-6-8-27(9-7-26)18-5-2-13(10-19(18)28(30)31)20(29)25-21-24-17(12-32-21)15-4-3-14(22)11-16(15)23/h2-5,10-12H,6-9H2,1H3,(H,24,25,29)/p+1