ethyl 5-ethyl-2-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C(=O)OCC

InChI

InChI=1S/C21H27N3O4S/c1-3-17-13-18(21(27)28-4-2)20(29-17)22-19(26)14-23-9-11-24(12-10-23)15-5-7-16(25)8-6-15/h5-8,13,25H,3-4,9-12,14H2,1-2H3,(H,22,26)/p+1