[4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxidanylidene-6-(2-phenylcyclohexyl)oxy-1,2-oxazinan-2-ium-5-yl] ethanoate

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxidanylidene-6-(2-phenylcyclohexyl)oxy-1,2-oxazinan-2-ium-5-yl] ethanoate Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxo-6-(2-phenylcyclohexoxy)oxazinan-2-ium-5-yl] acetate CAS Name: acetic acid [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxo-6-(2-phenylcyclohexyl)oxy-5-oxazinan-2-iumyl] ester IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-2-oxo-6-(2-phenylcyclohexyl)oxyoxazinan-2-ium-5-yl] acetate Traditional Name: acetic acid [4-ethyl-2-keto-6-(2-phenylcyclohexoxy)-4-veratryl-oxazinan-2-ium-5-yl] ester Formula: C29H38NO7+ MolecularWeight: 512.61452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C[N+](=O)OC(C1OC(=O)C)OC2CCCCC2C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1(C[N+](=O)OC(C1OC(=O)C)OC2CCCCC2C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H38NO7/c1-5-29(18-21-15-16-25(33-3)26(17-21)34-4)19-30(32)37-28(27(29)35-20(2)31)36-24-14-10-9-13-23(24)22-11-7-6-8-12-22/h6-8,11-12,15-17,23-24,27-28H,5,9-10,13-14,18-19H2,1-4H3/q+1