(2S)-1-[(3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(3-methoxyphenyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-m-anisyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C22H24N4O2/c1-28-20-9-2-6-17(14-20)16-25-12-4-10-21(25)22(27)24-18-7-3-8-19(15-18)26-13-5-11-23-26/h2-3,5-9,11,13-15,21H,4,10,12,16H2,1H3,(H,24,27)/p+1/t21-/m0/s1