ethyl 4-(3,4-dimethoxyphenyl)-2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[3-(4-ethyl-1-piperazine-1,4-diiumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H35N3O5S+2 MolecularWeight: 477.6168

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OCC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OCC

InChI

InChI=1S/C24H33N3O5S/c1-5-26-11-13-27(14-12-26)10-9-21(28)25-23-22(24(29)32-6-2)18(16-33-23)17-7-8-19(30-3)20(15-17)31-4/h7-8,15-16H,5-6,9-14H2,1-4H3,(H,25,28)/p+2