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

Systemtic Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(p-tolyl)-N-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(p-tolyl)-N-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]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=C(C=C3)C)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=C(C=C3)C)[NH+]4CCCC4

InChI

InChI=1S/C24H27N3O2/c1-17-5-9-19(10-6-17)22(27-13-3-4-14-27)16-25-24(28)21-15-23(29-26-21)20-11-7-18(2)8-12-20/h5-12,15,22H,3-4,13-14,16H2,1-2H3,(H,25,28)/p+1/t22-/m0/s1