methyl 6-(3-aminocarbonylpyridin-1-ium-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate chloride

Systemtic Name: methyl 6-(3-aminocarbonylpyridin-1-ium-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate chloride Openeye Name: methyl 2-(tert-butoxycarbonylamino)-6-(3-carbamoylpyridin-1-ium-1-yl)hexanoate chloride CAS Name: 6-(3-carbamoyl-1-pyridin-1-iumyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid methyl ester chloride IUPAC Name: methyl 6-(3-carbamoylpyridin-1-ium-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate chloride Traditional Name: 2-(tert-butoxycarbonylamino)-6-(3-carbamoylpyridin-1-ium-1-yl)hexanoic acid methyl ester chloride Formula: C18H28ClN3O5 MolecularWeight: 401.88502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC[N+]1=CC=CC(=C1)C(=O)N)C(=O)OC.[Cl-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCC[N+]1=CC=CC(=C1)C(=O)N)C(=O)OC.[Cl-]

InChI

InChI=1S/C18H27N3O5.ClH/c1-18(2,3)26-17(24)20-14(16(23)25-4)9-5-6-10-21-11-7-8-13(12-21)15(19)22;/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H2-,19,20,22,24);1H