methyl-(phenylmethyl)-[[3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]carbonyl-1,2-oxazol-5-yl]methyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[[3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]carbonyl-1,2-oxazol-5-yl]methyl]azanium Openeye Name: benzyl-methyl-[[3-[(2S)-2-(2-pyridyl)pyrrolidine-1-carbonyl]isoxazol-5-yl]methyl]ammonium CAS Name: methyl-[[3-[oxo-[(2S)-2-(2-pyridinyl)-1-pyrrolidinyl]methyl]-5-isoxazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-[(2S)-2-(2-pyridyl)pyrrolidine-1-carbonyl]isoxazol-5-yl]methyl]ammonium Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCCC3C4=CC=CC=N4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCC[C@H]3C4=CC=CC=N4

InChI

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