4-[[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoylamino]benzoic acid

Systemtic Name: 4-[[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoylamino]benzoic acid Openeye Name: 4-[[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamoylamino]benzoic acid CAS Name: 4-[[oxo-[[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]amino]methyl]amino]benzoic acid IUPAC Name: 4-[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]benzoic acid Traditional Name: 4-[[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamoylamino]benzoic acid Formula: C19H19N4O4+ MolecularWeight: 367.37856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N4O4/c1-13(11-14-5-3-2-4-6-14)23-12-17(27-22-23)21-19(26)20-16-9-7-15(8-10-16)18(24)25/h2-10,12-13H,11H2,1H3,(H2-,20,21,22,24,25,26)/p+1