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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-phenyl-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=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2/c1-17-10-11-20(14-18(17)2)23-15-21(26-29-23)24(28)25-16-22(27-12-6-7-13-27)19-8-4-3-5-9-19/h3-5,8-11,14-15,22H,6-7,12-13,16H2,1-2H3,(H,25,28)/p+1/t22-/m0/s1