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

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H31N3O3S+2 MolecularWeight: 417.56484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N3O3S/c1-5-28-22(27)20-19(17-8-6-15(2)7-9-17)16(3)29-21(20)23-18(26)14-25-12-10-24(4)11-13-25/h6-9H,5,10-14H2,1-4H3,(H,23,26)/p+2