4-bromanyl-2-[[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-(1H-indol-3-ylmethyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(1H-indol-3-ylmethyl)piperazino]methyl]phenol; oxalic acid Formula: C22H24BrN3O5 MolecularWeight: 490.34706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)Br)O)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)Br)O)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22BrN3O.C2H2O4/c21-17-5-6-20(25)15(11-17)13-23-7-9-24(10-8-23)14-16-12-22-19-4-2-1-3-18(16)19;3-1(4)2(5)6/h1-6,11-12,22,25H,7-10,13-14H2;(H,3,4)(H,5,6)