2-[4-(5-bromanylfuran-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylfuran-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-furanyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-bromo-2-furoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)Br)C

InChI

InChI=1S/C19H22BrN3O3/c1-13-4-3-5-15(14(13)2)21-18(24)12-22-8-10-23(11-9-22)19(25)16-6-7-17(20)26-16/h3-7H,8-12H2,1-2H3,(H,21,24)/p+1