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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC(C)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N[C@H](C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O/c1-16-5-3-4-6-20(16)25-13-11-24(12-14-25)15-21(26)23-17(2)18-7-9-19(22)10-8-18/h3-10,17H,11-15H2,1-2H3,(H,23,26)/p+1/t17-/m1/s1