2-[4-(2H-benzotriazol-5-ylcarbonyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(2H-benzotriazol-5-ylcarbonyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[2H-benzotriazol-5-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H20N7O3+ MolecularWeight: 370.3858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C17H19N7O3/c1-11-8-15(21-27-11)18-16(25)10-23-4-6-24(7-5-23)17(26)12-2-3-13-14(9-12)20-22-19-13/h2-3,8-9H,4-7,10H2,1H3,(H,18,21,25)(H,19,20,22)/p+1