3-[(2-methylpropan-2-yl)oxycarbonyl-(1-oxidanidylpyridin-1-ium-2-yl)amino]propyl methanesulfonate

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-(1-oxidanidylpyridin-1-ium-2-yl)amino]propyl methanesulfonate Openeye Name: 3-[tert-butoxycarbonyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(1-oxido-2-pyridin-1-iumyl)amino]propyl ester IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[tert-butoxycarbonyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl ester Formula: C14H22N2O6S MolecularWeight: 346.39928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCOS(=O)(=O)C)C1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCOS(=O)(=O)C)C1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C14H22N2O6S/c1-14(2,3)22-13(17)15(9-7-11-21-23(4,19)20)12-8-5-6-10-16(12)18/h5-6,8,10H,7,9,11H2,1-4H3