(E)-2-diazonio-1-[(1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexyl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[(1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexyl]ethenolate Openeye Name: (E)-2-diazonio-1-[(1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexyl]ethenolate CAS Name: (E)-2-diazonio-1-[(1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethylcyclohexyl]ethenolate IUPAC Name: (E)-2-diazonio-1-[(1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethylcyclohexyl]ethenolate Traditional Name: (E)-2-diazonio-1-[(1S,2R,3S)-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexyl]ethenolate Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=C[N+]#N)[O-]

Isomeric SMILES

C[C@@]1(CCC[C@@H]([C@H]1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C24H28N2O2/c1-24(23(27)17-26-25)16-6-9-21(19-11-13-20(28-2)14-12-19)22(24)15-10-18-7-4-3-5-8-18/h3-5,7-8,11-14,17,21-22H,6,9-10,15-16H2,1-2H3/b23-17+/t21-,22-,24+/m1/s1