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

Systemtic Name: ethyl 4,5-dimethyl-2-[[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H32N5O2S+ MolecularWeight: 502.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O2S/c1-4-35-28(34)24-19(2)20(3)36-27(24)31-25-26(30-23-13-9-8-12-22(23)29-25)33-16-14-32(15-17-33)18-21-10-6-5-7-11-21/h5-13H,4,14-18H2,1-3H3,(H,29,31)/p+1