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

Systemtic Name: 5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C24H27N3O3/c1-29-20-12-10-19(11-13-20)23-16-21(26-30-23)24(28)25-17-22(18-8-4-2-5-9-18)27-14-6-3-7-15-27/h2,4-5,8-13,16,22H,3,6-7,14-15,17H2,1H3,(H,25,28)/p+1/t22-/m0/s1