(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-(2,2-dimethylpropyl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-neopentyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCCC1C(=O)NC2=CC=CC(=C2)N3C=CC=N3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC[C@H]1C(=O)NC2=CC=CC(=C2)N3C=CC=N3

InChI

InChI=1S/C19H26N4O/c1-19(2,3)14-22-11-5-9-17(22)18(24)21-15-7-4-8-16(13-15)23-12-6-10-20-23/h4,6-8,10,12-13,17H,5,9,11,14H2,1-3H3,(H,21,24)/p+1/t17-/m0/s1