3-methyl-N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-(3-isoxazolylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: 3-methyl-N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C17H26N5O2+ MolecularWeight: 332.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NOC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NOC=C3

InChI

InChI=1S/C17H25N5O2/c1-13(2)11-17(23)19-16-3-7-18-22(16)15-4-8-21(9-5-15)12-14-6-10-24-20-14/h3,6-7,10,13,15H,4-5,8-9,11-12H2,1-2H3,(H,19,23)/p+1