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

Systemtic Name: 3-methyl-2-oxidanidyl-4-pentyl-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-3-methyl-6-[(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexoxy]-2-oxido-4-pentyl-4,5-dihydrooxazin-2-ium CAS Name: 3-methyl-2-oxido-4-pentyl-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-6-prop-2-enyl-4,5-dihydrooxazin-2-ium IUPAC Name: 3-methyl-2-oxido-4-pentyl-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-6-prop-2-enyl-4,5-dihydrooxazin-2-ium Traditional Name: 6-allyl-4-amyl-6-[(1R,2S)-2-cumylcyclohexoxy]-3-methyl-2-oxido-4,5-dihydrooxazin-2-ium Formula: C28H43NO3 MolecularWeight: 441.64592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(O[N+](=C1C)[O-])(CC=C)OC2CCCCC2C(C)(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1CC(O[N+](=C1C)[O-])(CC=C)O[C@@H]2CCCC[C@H]2C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C28H43NO3/c1-6-8-10-15-23-21-28(20-7-2,32-29(30)22(23)3)31-26-19-14-13-18-25(26)27(4,5)24-16-11-9-12-17-24/h7,9,11-12,16-17,23,25-26H,2,6,8,10,13-15,18-21H2,1,3-5H3/t23?,25-,26-,28?/m1/s1