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

Systemtic Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C22H29BrN3O2+ MolecularWeight: 447.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC(C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N[C@H](C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H28BrN3O2/c1-3-28-21-7-5-4-6-20(21)26-14-12-25(13-15-26)16-22(27)24-17(2)18-8-10-19(23)11-9-18/h4-11,17H,3,12-16H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1