5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4)C

InChI

InChI=1S/C25H29N3O2/c1-18-11-12-21(15-19(18)2)24-16-22(27-30-24)25(29)26-17-23(20-9-5-3-6-10-20)28-13-7-4-8-14-28/h3,5-6,9-12,15-16,23H,4,7-8,13-14,17H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1