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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H29N3O3S2+2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-4-26-20(25)18-14(2)15(3)28-19(18)21-17(24)13-23-9-7-22(8-10-23)12-16-6-5-11-27-16/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,21,24)/p+2