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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-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=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O2/c1-12-10-14(18)4-5-15(12)19-16(22)11-20-6-8-21(9-7-20)17(23)13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,19,22)/p+1