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

Systemtic Name: 5-methyl-3-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]isoxazole-4-carboxamide Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H27N3O2/c1-18-22(23(26-29-18)21-8-4-2-5-9-21)24(28)25-16-19-10-12-20(13-11-19)17-27-14-6-3-7-15-27/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,25,28)/p+1