(2S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2,3-dimethyl-4-imidazolyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C)C[NH+]2CCCC2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC1=NC=C(N1C)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C20H24N6O/c1-15-21-13-18(24(15)2)14-25-10-4-8-19(25)20(27)23-16-6-3-7-17(12-16)26-11-5-9-22-26/h3,5-7,9,11-13,19H,4,8,10,14H2,1-2H3,(H,23,27)/p+1/t19-/m0/s1