methyl 2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-12-13(2)28-17(16(12)19(25)26-3)20-15(23)11-21-6-8-22(9-7-21)18(24)14-5-4-10-27-14/h4-5,10H,6-9,11H2,1-3H3,(H,20,23)/p+1