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

Systemtic Name: methyl 3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C13H19N3O3S/c1-15-4-6-16(7-5-15)9-11(17)14-10-3-8-20-12(10)13(18)19-2/h3,8H,4-7,9H2,1-2H3,(H,14,17)/p+1