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

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,4-dimethylphenyl)acetamide Formula: C19H26BrN3OS+2 MolecularWeight: 424.39824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Br)C

InChI

InChI=1S/C19H24BrN3OS/c1-14-3-5-17(15(2)11-14)21-19(24)13-23-9-7-22(8-10-23)12-16-4-6-18(20)25-16/h3-6,11H,7-10,12-13H2,1-2H3,(H,21,24)/p+2