N-(4,5-dimethyl-3-piperazin-4-ium-1-ylcarbonyl-thiophen-2-yl)furan-2-carboxamide

Systemtic Name: N-(4,5-dimethyl-3-piperazin-4-ium-1-ylcarbonyl-thiophen-2-yl)furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-(piperazin-4-ium-1-carbonyl)-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[oxo(1-piperazin-4-iumyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-(piperazin-4-ium-1-carbonyl)thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-(piperazin-4-ium-1-carbonyl)-2-thienyl]-2-furamide Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CC[NH2+]CC2)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CC[NH2+]CC2)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C16H19N3O3S/c1-10-11(2)23-15(18-14(20)12-4-3-9-22-12)13(10)16(21)19-7-5-17-6-8-19/h3-4,9,17H,5-8H2,1-2H3,(H,18,20)/p+1