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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CC(=C(C=C3)C)C)[NH+]4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-17-6-9-20(10-7-17)23(28-12-4-5-13-28)16-26-25(29)22-15-24(30-27-22)21-11-8-18(2)19(3)14-21/h6-11,14-15,23H,4-5,12-13,16H2,1-3H3,(H,26,29)/p+1/t23-/m0/s1