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

Systemtic Name: ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H23N3O4S/c1-2-26-19(25)16-7-12-27-18(16)20-17(24)13-21-8-10-22(11-9-21)14-3-5-15(23)6-4-14/h3-7,12,23H,2,8-11,13H2,1H3,(H,20,24)/p+1