tert-butyl 4-(aminomethyl)-1-ethyl-piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(aminomethyl)-1-ethyl-piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(aminomethyl)-1-ethyl-piperidin-1-ium-1-carboxylate CAS Name: 4-(aminomethyl)-1-ethyl-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(aminomethyl)-1-ethylpiperidin-1-ium-1-carboxylate Traditional Name: 4-(aminomethyl)-1-ethyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C13H27N2O2+ MolecularWeight: 243.36568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27N2O2/c1-5-15(12(16)17-13(2,3)4)8-6-11(10-14)7-9-15/h11H,5-10,14H2,1-4H3/q+1