5-methyl-3-phenyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-methyl-3-phenyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]isoxazole-4-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C22H24N4O2/c1-16-20(21(25-28-16)17-8-3-2-4-9-17)22(27)24-19-11-7-13-26(15-19)14-18-10-5-6-12-23-18/h2-6,8-10,12,19H,7,11,13-15H2,1H3,(H,24,27)/p+1/t19-/m0/s1