(2S)-1-[(6-methylpyridin-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(6-methylpyridin-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(6-methyl-2-pyridyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(6-methyl-2-pyridinyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(6-methylpyridin-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(6-methyl-2-pyridyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H23N5O/c1-16-6-2-8-18(23-16)15-25-12-4-10-20(25)21(27)24-17-7-3-9-19(14-17)26-13-5-11-22-26/h2-3,5-9,11,13-14,20H,4,10,12,15H2,1H3,(H,24,27)/p+1/t20-/m0/s1