N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]furan-2-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]furan-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]furan-2-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-2-furancarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]furan-2-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2-furamide Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C17H18N4O2S/c1-20-6-8-21(9-7-20)17-19-13-5-4-12(11-15(13)24-17)18-16(22)14-3-2-10-23-14/h2-5,10-11H,6-9H2,1H3,(H,18,22)/p+1