ethyl 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H30N5O2S+ MolecularWeight: 440.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(S4)C)C)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(S4)C)C)C(=O)OCC

InChI

InChI=1S/C23H29N5O2S/c1-5-27-11-13-28(14-12-27)21-20(24-17-9-7-8-10-18(17)25-21)26-22-19(23(29)30-6-2)15(3)16(4)31-22/h7-10H,5-6,11-14H2,1-4H3,(H,24,26)/p+1