N-(4-bromophenyl)-N'-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate

Systemtic Name: N-(4-bromophenyl)-N'-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate Openeye Name: N-(4-bromophenyl)-N'-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamimidate CAS Name: N-(4-bromophenyl)-N'-[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]carbamimidate IUPAC Name: N-(4-bromophenyl)-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate Traditional Name: N-(4-bromophenyl)-N'-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamimidate Formula: C18H17BrN4O2 MolecularWeight: 401.25718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/NC3=CC=C(C=C3)Br)\[O-]

InChI

InChI=1S/C18H17BrN4O2/c1-13(11-14-5-3-2-4-6-14)23-12-17(25-22-23)21-18(24)20-16-9-7-15(19)8-10-16/h2-10,12-13H,11H2,1H3,(H-,20,21,22,24)