tert-butyl 4-[2-(2-azanylethanoyloxy)ethyl]-1-(phenylmethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-azanylethanoyloxy)ethyl]-1-(phenylmethyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-aminoacetyl)oxyethyl]-1-benzyl-piperidin-1-ium-1-carboxylate CAS Name: 4-[2-(2-amino-1-oxoethoxy)ethyl]-1-(phenylmethyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-aminoacetyl)oxyethyl]-1-benzylpiperidin-1-ium-1-carboxylate Traditional Name: 1-benzyl-4-(2-glycyloxyethyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CCOC(=O)CN)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)CCOC(=O)CN)CC2=CC=CC=C2

InChI

InChI=1S/C21H33N2O4/c1-21(2,3)27-20(25)23(16-18-7-5-4-6-8-18)12-9-17(10-13-23)11-14-26-19(24)15-22/h4-8,17H,9-16,22H2,1-3H3/q+1