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

Systemtic Name: methyl-[[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]isoxazol-5-yl]methyl]ammonium CAS Name: methyl-[[3-[[(1-methyl-4-pyrazolyl)methylamino]-oxomethyl]-5-isoxazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]isoxazol-5-yl]methyl]ammonium Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=NOC(=C2)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=NOC(=C2)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2/c1-22(11-14-6-4-3-5-7-14)13-16-8-17(21-25-16)18(24)19-9-15-10-20-23(2)12-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,24)/p+1