2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C15H21BrN4O2S+2 MolecularWeight: 401.32184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C15H19BrN4O2S/c1-11-8-14(18-22-11)17-15(21)10-20-6-4-19(5-7-20)9-12-2-3-13(16)23-12/h2-3,8H,4-7,9-10H2,1H3,(H,17,18,21)/p+2