(2R)-N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H24BrN3O2/c1-15(20(25)22-17-9-7-16(21)8-10-17)23-11-13-24(14-12-23)18-5-3-4-6-19(18)26-2/h3-10,15H,11-14H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1