[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methyl-carbamoyl]-1,2-oxazol-5-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methyl-carbamoyl]-1,2-oxazol-5-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methyl-carbamoyl]isoxazol-5-yl]methyl]-methyl-ammonium CAS Name: [3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-oxomethyl]-5-isoxazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylcarbamoyl]-1,2-oxazol-5-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methyl-carbamoyl]isoxazol-5-yl]methyl]-methyl-ammonium Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N(C)CC3=CC(=NN3)C4CC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N(C)CC3=CC(=NN3)C4CC4

InChI

InChI=1S/C21H25N5O2/c1-25(12-15-6-4-3-5-7-15)14-18-11-20(24-28-18)21(27)26(2)13-17-10-19(23-22-17)16-8-9-16/h3-7,10-11,16H,8-9,12-14H2,1-2H3,(H,22,23)/p+1