N-[(1R)-1-(2-bromophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-(2-bromophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-(2-bromophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-(2-bromophenyl)ethyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(2-bromophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-(2-bromophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1Br)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H24BrN3O2/c1-15(18-4-2-3-5-19(18)21)22-20(26)14-23-10-12-24(13-11-23)16-6-8-17(25)9-7-16/h2-9,15,25H,10-14H2,1H3,(H,22,26)/p+1/t15-/m1/s1