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

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-(4-methylbenzyl)acetamide Formula: C20H27BrN3OS+ MolecularWeight: 437.41688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN3OS/c1-16-3-5-17(6-4-16)13-22(2)20(25)15-24-11-9-23(10-12-24)14-18-7-8-19(21)26-18/h3-8H,9-15H2,1-2H3/p+1