2-(4-bromanylphenoxy)-1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-(1-cyclohex-3-enylmethyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-[4-(cyclohex-3-en-1-ylmethyl)piperazino]ethanone; oxalic acid Formula: C21H27BrN2O6 MolecularWeight: 483.35288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CC=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25BrN2O2.C2H2O4/c20-17-6-8-18(9-7-17)24-15-19(23)22-12-10-21(11-13-22)14-16-4-2-1-3-5-16;3-1(4)2(5)6/h1-2,6-9,16H,3-5,10-15H2;(H,3,4)(H,5,6)