N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[3-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-4,5-dimethyl-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-2-thienyl]-2-furamide Formula: C18H27N3O3S+2 MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CC[NH+](CC2)CCO)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CC[NH+](CC2)CCO)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C18H25N3O3S/c1-13-14(2)25-18(19-17(23)16-4-3-11-24-16)15(13)12-21-7-5-20(6-8-21)9-10-22/h3-4,11,22H,5-10,12H2,1-2H3,(H,19,23)/p+2