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

Systemtic Name: N-[4-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]acetyl]phenyl]acetamide CAS Name: N-[4-[2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetyl]phenyl]acetamide Traditional Name: N-[4-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]acetyl]phenyl]acetamide Formula: C19H23BrN3O2S+ MolecularWeight: 437.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C19H22BrN3O2S/c1-14(24)21-16-4-2-15(3-5-16)18(25)13-23-10-8-22(9-11-23)12-17-6-7-19(20)26-17/h2-7H,8-13H2,1H3,(H,21,24)/p+1