ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-(2-thenoylamino)benzoic acid ethyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c1-3-22-9-11-23(12-10-22)17-8-7-15(20(25)26-4-2)14-16(17)21-19(24)18-6-5-13-27-18/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,24)/p+1