methyl-[[3-(1,2-oxazol-3-ylmethylcarbamoyl)-1,2-oxazol-5-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[3-(1,2-oxazol-3-ylmethylcarbamoyl)-1,2-oxazol-5-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(isoxazol-3-ylmethylcarbamoyl)isoxazol-5-yl]methyl]-methyl-ammonium CAS Name: [3-[(3-isoxazolylmethylamino)-oxomethyl]-5-isoxazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-(1,2-oxazol-3-ylmethylcarbamoyl)-1,2-oxazol-5-yl]methyl]azanium Traditional Name: benzyl-[[3-(isoxazol-3-ylmethylcarbamoyl)isoxazol-5-yl]methyl]-methyl-ammonium Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-21(11-13-5-3-2-4-6-13)12-15-9-16(20-24-15)17(22)18-10-14-7-8-23-19-14/h2-9H,10-12H2,1H3,(H,18,22)/p+1