N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(2-pyridyl)ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(2-pyridyl)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=N3

InChI

InChI=1S/C17H23N5O2/c1-14-12-16(20-24-14)19-17(23)13-22-10-8-21(9-11-22)7-5-15-4-2-3-6-18-15/h2-4,6,12H,5,7-11,13H2,1H3,(H,19,20,23)/p+1