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

Systemtic Name: N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: 5-phenyl-N-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: 5-phenyl-N-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-17-9-11-18(12-10-17)21(26-13-5-6-14-26)16-24-23(27)20-15-22(28-25-20)19-7-3-2-4-8-19/h2-4,7-12,15,21H,5-6,13-14,16H2,1H3,(H,24,27)/p+1/t21-/m0/s1