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

Systemtic Name: (2S)-1-(2-methylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-isobutyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-(2-methylpropyl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-(2-methylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-isobutyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O/c1-14(2)13-21-10-4-8-17(21)18(23)20-15-6-3-7-16(12-15)22-11-5-9-19-22/h3,5-7,9,11-12,14,17H,4,8,10,13H2,1-2H3,(H,20,23)/p+1/t17-/m0/s1