2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-[(3-chlorophenyl)methyl]acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(3-chlorobenzyl)acetamide Formula: C18H22BrClN3OS+ MolecularWeight: 443.80878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrClN3OS/c19-17-5-4-16(25-17)12-22-6-8-23(9-7-22)13-18(24)21-11-14-2-1-3-15(20)10-14/h1-5,10H,6-9,11-13H2,(H,21,24)/p+1