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

Systemtic Name: methyl 4,5-dimethyl-2-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H27N3O3S2+2 MolecularWeight: 409.56598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3)C

InChI

InChI=1S/C19H25N3O3S2/c1-13-14(2)27-18(17(13)19(24)25-3)20-16(23)12-22-8-6-21(7-9-22)11-15-5-4-10-26-15/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,23)/p+2