2-[[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoylamino]ethanoic acid

Systemtic Name: 2-[[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoylamino]ethanoic acid Openeye Name: 2-[[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamoylamino]acetic acid CAS Name: 2-[[oxo-[[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]amino]methyl]amino]acetic acid IUPAC Name: 2-[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]acetic acid Traditional Name: 2-[[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamoylamino]acetic acid Formula: C14H17N4O4+ MolecularWeight: 305.30918

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NCC(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NCC(=O)O

InChI

InChI=1S/C14H16N4O4/c1-10(7-11-5-3-2-4-6-11)18-9-12(22-17-18)16-14(21)15-8-13(19)20/h2-6,9-10H,7-8H2,1H3,(H2-,15,16,17,19,20,21)/p+1