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

Systemtic Name: methyl 2-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-4-(furan-2-yl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-furyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(2-furanyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-furyl)thiophene-3-carboxylic acid methyl ester Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CO3)C(=O)OC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CO3)C(=O)OC

InChI

InChI=1S/C18H23N3O4S/c1-3-20-6-8-21(9-7-20)11-15(22)19-17-16(18(23)24-2)13(12-26-17)14-5-4-10-25-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,22)/p+1