1-[3-(3-bromanylphenoxy)propyl]-3-methyl-piperidine; ethanedioic acid

Systemtic Name: 1-[3-(3-bromanylphenoxy)propyl]-3-methyl-piperidine; ethanedioic acid Openeye Name: 1-[3-(3-bromophenoxy)propyl]-3-methyl-piperidine; oxalic acid CAS Name: 1-[3-(3-bromophenoxy)propyl]-3-methylpiperidine; oxalic acid IUPAC Name: 1-[3-(3-bromophenoxy)propyl]-3-methylpiperidine; oxalic acid Traditional Name: 1-[3-(3-bromophenoxy)propyl]-3-methyl-piperidine; oxalic acid Formula: C17H24BrNO5 MolecularWeight: 402.28016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)CCCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22BrNO.C2H2O4/c1-13-5-3-8-17(12-13)9-4-10-18-15-7-2-6-14(16)11-15;3-1(4)2(5)6/h2,6-7,11,13H,3-5,8-10,12H2,1H3;(H,3,4)(H,5,6)