N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]thiophene-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]thiophene-2-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]thiophene-2-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]thiophene-2-carboxamide Formula: C16H19N4O3S+ MolecularWeight: 347.41206

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C16H18N4O3S/c1-18-6-8-19(9-7-18)14-5-4-12(20(22)23)11-13(14)17-16(21)15-3-2-10-24-15/h2-5,10-11H,6-9H2,1H3,(H,17,21)/p+1