2-oxidanidyl-4-phenyl-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-6-prop-2-enyl-4,5-dihydro-1,2-oxazin-2-ium

Systemtic Name: 2-oxidanidyl-4-phenyl-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-6-prop-2-enyl-4,5-dihydro-1,2-oxazin-2-ium Openeye Name: 6-allyl-6-[(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexoxy]-2-oxido-4-phenyl-4,5-dihydrooxazin-2-ium CAS Name: 2-oxido-4-phenyl-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-6-prop-2-enyl-4,5-dihydrooxazin-2-ium IUPAC Name: 2-oxido-4-phenyl-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-6-prop-2-enyl-4,5-dihydrooxazin-2-ium Traditional Name: 6-allyl-6-[(1R,2S)-2-cumylcyclohexoxy]-2-oxido-4-phenyl-4,5-dihydrooxazin-2-ium Formula: C28H35NO3 MolecularWeight: 433.5824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1OC2(CC(C=[N+](O2)[O-])C3=CC=CC=C3)CC=C)C4=CC=CC=C4

Isomeric SMILES

CC(C)([C@@H]1CCCC[C@H]1OC2(CC(C=[N+](O2)[O-])C3=CC=CC=C3)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C28H35NO3/c1-4-19-28(20-23(21-29(30)32-28)22-13-7-5-8-14-22)31-26-18-12-11-17-25(26)27(2,3)24-15-9-6-10-16-24/h4-10,13-16,21,23,25-26H,1,11-12,17-20H2,2-3H3/t23?,25-,26-,28?/m1/s1