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

Systemtic Name: [3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]isoxazol-5-yl]methyl]-methyl-ammonium CAS Name: [3-[[(1,3-dimethyl-4-pyrazolyl)methylamino]-oxomethyl]-5-isoxazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]isoxazol-5-yl]methyl]-methyl-ammonium Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)C2=NOC(=C2)C[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)C2=NOC(=C2)C[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H23N5O2/c1-14-16(12-24(3)21-14)10-20-19(25)18-9-17(26-22-18)13-23(2)11-15-7-5-4-6-8-15/h4-9,12H,10-11,13H2,1-3H3,(H,20,25)/p+1