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

Systemtic Name: 5-methyl-3-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]isoxazole-4-carboxamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C23H31N3O2/c1-18-20(21(25-28-18)19-11-5-2-6-12-19)22(27)24-17-23(13-7-3-8-14-23)26-15-9-4-10-16-26/h2,5-6,11-12H,3-4,7-10,13-17H2,1H3,(H,24,27)/p+1