3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethoxy]thiophene-2-carboxylate

Systemtic Name: 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethoxy]thiophene-2-carboxylate Openeye Name: 3-[2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)ethoxy]thiophene-2-carboxylate CAS Name: 3-[2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]ethoxy]-2-thiophenecarboxylate IUPAC Name: 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethoxy]thiophene-2-carboxylate Traditional Name: 3-[2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)ethoxy]-2-thenoate Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCOC2=C(SC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCOC2=C(SC=C2)C(=O)[O-]

InChI

InChI=1S/C16H24N2O5S/c1-16(2,3)23-15(21)18-7-5-17(6-8-18)9-10-22-12-4-11-24-13(12)14(19)20/h4,11H,5-10H2,1-3H3,(H,19,20)