(2R)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C17H21BrN3OS+ MolecularWeight: 395.33714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)CC3=CC=C(S3)Br

InChI

InChI=1S/C17H20BrN3OS/c18-15-7-6-14(23-15)12-20-8-10-21(11-9-20)16(17(19)22)13-4-2-1-3-5-13/h1-7,16H,8-12H2,(H2,19,22)/p+1/t16-/m1/s1