ethyl 2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C18H23N3O3S2/c1-3-24-18(23)16-13(14-5-4-10-25-14)12-26-17(16)19-15(22)11-21-8-6-20(2)7-9-21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,22)/p+1