tert-butyl 4-(2-azanyl-2-oxidanylidene-ethyl)-1-methyl-piperidin-1-ium-1-carboxylate; methanolate

Systemtic Name: tert-butyl 4-(2-azanyl-2-oxidanylidene-ethyl)-1-methyl-piperidin-1-ium-1-carboxylate; methanolate Openeye Name: tert-butyl 4-(2-amino-2-oxo-ethyl)-1-methyl-piperidin-1-ium-1-carboxylate; methanolate CAS Name: 4-(2-amino-2-oxoethyl)-1-methyl-1-piperidin-1-iumcarboxylic acid tert-butyl ester; methanolate IUPAC Name: tert-butyl 4-(2-amino-2-oxoethyl)-1-methylpiperidin-1-ium-1-carboxylate; methanolate Traditional Name: 4-(2-amino-2-keto-ethyl)-1-methyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester; methanolate Formula: C14H28N2O4 MolecularWeight: 288.38312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CC(=O)N)C.C[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CC(=O)N)C.C[O-]

InChI

InChI=1S/C13H24N2O3.CH3O/c1-13(2,3)18-12(17)15(4)7-5-10(6-8-15)9-11(14)16;1-2/h10H,5-9H2,1-4H3,(H-,14,16);1H3/q;-1/p+1