dimethyl 5-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H26N3O6S+ MolecularWeight: 448.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C21H25N3O6S/c1-13-17(20(27)29-2)19(31-18(13)21(28)30-3)22-16(26)12-23-8-10-24(11-9-23)14-4-6-15(25)7-5-14/h4-7,25H,8-12H2,1-3H3,(H,22,26)/p+1