1-(4-bromophenyl)-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-carboxylic acid Openeye Name: 1-(4-bromophenyl)-2-(tert-butoxycarbonylamino)-2-ethyl-piperidin-1-ium-1-carboxylic acid CAS Name: 1-(4-bromophenyl)-2-ethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(4-bromophenyl)-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-carboxylic acid Traditional Name: 1-(4-bromophenyl)-2-(tert-butoxycarbonylamino)-2-ethyl-piperidin-1-ium-1-carboxylic acid Formula: C19H28BrN2O4+ MolecularWeight: 428.34062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC[N+]1(C2=CC=C(C=C2)Br)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1(CCCC[N+]1(C2=CC=C(C=C2)Br)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H27BrN2O4/c1-5-19(21-16(23)26-18(2,3)4)12-6-7-13-22(19,17(24)25)15-10-8-14(20)9-11-15/h8-11H,5-7,12-13H2,1-4H3,(H-,21,23,24,25)/p+1