ethyl 4,5-dimethyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H27N3O3S+2 MolecularWeight: 341.46888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C16H25N3O3S/c1-5-22-16(21)14-11(2)12(3)23-15(14)17-13(20)10-19-8-6-18(4)7-9-19/h5-10H2,1-4H3,(H,17,20)/p+2