4-bromanyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-(1-naphthylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-(1-naphthalenylmethyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(1-naphthylmethyl)piperazino]methyl]phenol; oxalic acid Formula: C24H25BrN2O5 MolecularWeight: 501.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)CC4=C(C=CC(=C4)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)CC4=C(C=CC(=C4)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H23BrN2O.C2H2O4/c23-20-8-9-22(26)19(14-20)16-25-12-10-24(11-13-25)15-18-6-3-5-17-4-1-2-7-21(17)18;3-1(4)2(5)6/h1-9,14,26H,10-13,15-16H2;(H,3,4)(H,5,6)