2-(4-bromophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide Openeye Name: 2-(4-bromophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide CAS Name: 2-(4-bromophenyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]acetamide IUPAC Name: 2-(4-bromophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]acetamide Traditional Name: 2-(4-bromophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide Formula: C21H27BrN3O+ MolecularWeight: 417.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H26BrN3O/c1-3-24-10-12-25(13-11-24)19-8-9-20(16(2)14-19)23-21(26)15-17-4-6-18(22)7-5-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)/p+1