(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(3,5-dimethylisoxazol-4-yl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-phenyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-phenylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(3,5-dimethylisoxazol-4-yl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCCC2C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2/c1-12-15(13(2)22-19-12)11-20-10-6-9-16(20)17(21)18-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-11H2,1-2H3,(H,18,21)/p+1/t16-/m0/s1