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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CC[NH+](CC2)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CC[NH+](CC2)CC)C(=O)OC

InChI

InChI=1S/C16H25N3O3S/c1-4-12-10-13(16(21)22-3)15(23-12)17-14(20)11-19-8-6-18(5-2)7-9-19/h10H,4-9,11H2,1-3H3,(H,17,20)/p+2