N-(2-bromanyl-4-methyl-phenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H23BrN3O2+ MolecularWeight: 381.28742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)Br

InChI

InChI=1S/C17H22BrN3O2/c1-12-2-5-15(14(18)10-12)19-16(22)11-20-6-8-21(9-7-20)17(23)13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,19,22)/p+1