N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(phenylmethyl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(phenylmethyl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: 2-[(2S)-2-benzylpyrrolidin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide CAS Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(phenylmethyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[(2S)-2-benzylpyrrolidin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Traditional Name: 2-[(2S)-2-benzylpyrrolidin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Formula: C18H25N4O+ MolecularWeight: 313.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCCC2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCC[C@H]2CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O/c1-13-18(14(2)21-20-13)19-17(23)12-22-10-6-9-16(22)11-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,19,23)(H,20,21)/p+1/t16-/m0/s1