(2R)-N-(1,5-dimethylpyrazol-4-yl)-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(1,5-dimethylpyrazol-4-yl)-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-benzyl-N-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-(1,5-dimethyl-4-pyrazolyl)-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-benzyl-N-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-benzyl-N-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-ium-2-carboxamide Formula: C17H23N4O+ MolecularWeight: 299.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)NC(=O)C2CCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C)NC(=O)[C@H]2CCC[NH+]2CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O/c1-13-15(11-18-20(13)2)19-17(22)16-9-6-10-21(16)12-14-7-4-3-5-8-14/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H,19,22)/p+1/t16-/m1/s1