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

Systemtic Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-(3-isoxazolylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=NOC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=NOC=C4

InChI

InChI=1S/C20H23N5O2/c26-20(14-16-4-2-1-3-5-16)22-19-6-10-21-25(19)18-7-11-24(12-8-18)15-17-9-13-27-23-17/h1-6,9-10,13,18H,7-8,11-12,14-15H2,(H,22,26)/p+1