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

Systemtic Name: methyl 2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC

InChI

InChI=1S/C18H21N3O5S/c1-12-10-13(18(24)25-2)16(27-12)19-15(22)11-20-5-7-21(8-6-20)17(23)14-4-3-9-26-14/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,22)/p+1