2-[4-(3-bromanyl-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(3-bromanyl-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(3-bromo-4-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(3-bromo-4-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H22BrN4O4+ MolecularWeight: 438.29568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H21BrN4O4/c1-12-9-16(21-27-12)20-17(24)11-22-5-7-23(8-6-22)18(25)13-3-4-15(26-2)14(19)10-13/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,21,24)/p+1