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

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(4-methylbenzyl)acetamide Formula: C19H25BrN3OS+ MolecularWeight: 423.3903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3OS/c1-15-2-4-16(5-3-15)12-21-19(24)14-23-10-8-22(9-11-23)13-17-6-7-18(20)25-17/h2-7H,8-14H2,1H3,(H,21,24)/p+1