methyl-(phenylmethyl)-[[3-[(5-phenyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[[3-[(5-phenyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]azanium Openeye Name: benzyl-methyl-[[3-[(5-phenyl-1H-pyrazol-4-yl)methylcarbamoyl]isoxazol-5-yl]methyl]ammonium CAS Name: methyl-[[3-[oxo-[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]-5-isoxazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-[(5-phenyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-[(5-phenyl-1H-pyrazol-4-yl)methylcarbamoyl]isoxazol-5-yl]methyl]ammonium Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2/c1-28(15-17-8-4-2-5-9-17)16-20-12-21(27-30-20)23(29)24-13-19-14-25-26-22(19)18-10-6-3-7-11-18/h2-12,14H,13,15-16H2,1H3,(H,24,29)(H,25,26)/p+1