3-[[4-[(3-bromophenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-[[4-[(3-bromophenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-[[4-[(3-bromophenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole; 2-hydroxy-2-oxo-acetate CAS Name: 3-[[4-[(3-bromophenyl)methyl]-1-piperazin-1-iumyl]methyl]-9-ethylcarbazole; 2-hydroxy-2-oxoacetate IUPAC Name: 3-[[4-[(3-bromophenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethylcarbazole; 2-hydroxy-2-oxoacetate Traditional Name: 3-[[4-(3-bromobenzyl)piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole binoxalate Formula: C28H30BrN3O4 MolecularWeight: 552.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC(=CC=C4)Br)C5=CC=CC=C51.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC(=CC=C4)Br)C5=CC=CC=C51.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H28BrN3.C2H2O4/c1-2-30-25-9-4-3-8-23(25)24-17-21(10-11-26(24)30)19-29-14-12-28(13-15-29)18-20-6-5-7-22(27)16-20;3-1(4)2(5)6/h3-11,16-17H,2,12-15,18-19H2,1H3;(H,3,4)(H,5,6)