N'-[3-[(2R)-1-phenylpropan-2-yl]-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate

Systemtic Name: N'-[3-[(2R)-1-phenylpropan-2-yl]-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate Openeye Name: N'-[3-[(1R)-1-methyl-2-phenyl-ethyl]oxadiazol-3-ium-5-yl]carbamimidate CAS Name: N'-[3-[(2R)-1-phenylpropan-2-yl]-5-oxadiazol-3-iumyl]carbamimidate IUPAC Name: N'-[3-[(2R)-1-phenylpropan-2-yl]oxadiazol-3-ium-5-yl]carbamimidate Traditional Name: N'-[3-[(1R)-1-methyl-2-phenyl-ethyl]oxadiazol-3-ium-5-yl]carbamimidate Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)N=C(N)[O-]

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)[N+]2=NOC(=C2)N=C(N)[O-]

InChI

InChI=1S/C12H14N4O2/c1-9(7-10-5-3-2-4-6-10)16-8-11(18-15-16)14-12(13)17/h2-6,8-9H,7H2,1H3,(H2-,13,14,15,17)/t9-/m1/s1