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

Systemtic Name: 5-(4-methylphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: 5-(4-methylphenyl)-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methylphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2/c1-18-10-12-20(13-11-18)23-16-21(26-29-23)24(28)25-17-22(19-8-4-2-5-9-19)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