2-(4-bromanylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]acetamide Formula: C21H27BrN3O2+ MolecularWeight: 433.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O2/c1-17-3-2-4-19(15-17)25-13-11-24(12-14-25)10-9-23-21(26)16-27-20-7-5-18(22)6-8-20/h2-8,15H,9-14,16H2,1H3,(H,23,26)/p+1