(2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-ium-1-yl]-2-thiophen-2-yl-ethanoate

Systemtic Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-ium-1-yl]-2-thiophen-2-yl-ethanoate Openeye Name: (2R)-2-(4-tert-butoxycarbonyl-1,4-diazepan-1-ium-1-yl)-2-(2-thienyl)acetate CAS Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-diazepan-1-ium-1-yl]-2-thiophen-2-ylacetate IUPAC Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-ium-1-yl]-2-thiophen-2-ylacetate Traditional Name: (2R)-2-(4-tert-butoxycarbonyl-1,4-diazepan-1-ium-1-yl)-2-(2-thienyl)acetate Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC[NH+](CC1)C(C2=CC=CS2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[NH+](CC1)[C@@H](C2=CC=CS2)C(=O)[O-]

InChI

InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(21)18-8-5-7-17(9-10-18)13(14(19)20)12-6-4-11-23-12/h4,6,11,13H,5,7-10H2,1-3H3,(H,19,20)/t13-/m0/s1