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

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C19H26BrN3OS+2 MolecularWeight: 424.39824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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