(4S,6S)-4-(3,4-dimethoxyphenyl)-4-[2-(2-ethenyl-5,5-dimethyl-1,3-dioxan-2-yl)ethyl]-2-oxidanidyl-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-5,6-dihydro-1,2-oxazin-2-ium

Systemtic Name: (4S,6S)-4-(3,4-dimethoxyphenyl)-4-[2-(2-ethenyl-5,5-dimethyl-1,3-dioxan-2-yl)ethyl]-2-oxidanidyl-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-5,6-dihydro-1,2-oxazin-2-ium Openeye Name: (4S,6S)-4-(3,4-dimethoxyphenyl)-4-[2-(5,5-dimethyl-2-vinyl-1,3-dioxan-2-yl)ethyl]-6-[(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexoxy]-2-oxido-5,6-dihydrooxazin-2-ium CAS Name: (4S,6S)-4-(3,4-dimethoxyphenyl)-4-[2-(2-ethenyl-5,5-dimethyl-1,3-dioxan-2-yl)ethyl]-2-oxido-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-5,6-dihydrooxazin-2-ium IUPAC Name: (4S,6S)-4-(3,4-dimethoxyphenyl)-4-[2-(2-ethenyl-5,5-dimethyl-1,3-dioxan-2-yl)ethyl]-2-oxido-6-[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-5,6-dihydrooxazin-2-ium Traditional Name: (4S,6S)-6-[(1R,2S)-2-cumylcyclohexoxy]-4-(3,4-dimethoxyphenyl)-4-[2-(5,5-dimethyl-2-vinyl-1,3-dioxan-2-yl)ethyl]-2-oxido-5,6-dihydrooxazin-2-ium Formula: C37H51NO7 MolecularWeight: 621.80334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)(CCC2(CC(O[N+](=C2)[O-])OC3CCCCC3C(C)(C)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C=C)C

Isomeric SMILES

CC1(COC(OC1)(CC[C@]2(C[C@H](O[N+](=C2)[O-])O[C@@H]3CCCC[C@H]3C(C)(C)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C=C)C

InChI

InChI=1S/C37H51NO7/c1-8-37(42-25-34(2,3)26-43-37)21-20-36(28-18-19-31(40-6)32(22-28)41-7)23-33(45-38(39)24-36)44-30-17-13-12-16-29(30)35(4,5)27-14-10-9-11-15-27/h8-11,14-15,18-19,22,24,29-30,33H,1,12-13,16-17,20-21,23,25-26H2,2-7H3/t29-,30-,33+,36-/m1/s1