N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-thiophen-2-yl-1-pyrazolyl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide Traditional Name: N-(2-furfuryl)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]acetamide Formula: C20H24N5O3S+ MolecularWeight: 414.50126

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CS3)CC(=O)NCC4=CC=CO4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CS3)CC(=O)NCC4=CC=CO4

InChI

InChI=1S/C20H23N5O3S/c1-23-6-8-24(9-7-23)20(27)16-12-17(18-5-3-11-29-18)25(22-16)14-19(26)21-13-15-4-2-10-28-15/h2-5,10-12H,6-9,13-14H2,1H3,(H,21,26)/p+1