1-adamantyl-[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyethyl]-dimethyl-azanium iodide

Systemtic Name: 1-adamantyl-[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyethyl]-dimethyl-azanium iodide Openeye Name: 1-adamantyl-[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyethyl]-dimethyl-ammonium iodide CAS Name: 1-adamantyl-[2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enoxy]ethyl]-dimethylammonium iodide IUPAC Name: 1-adamantyl-[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyethyl]-dimethylazanium iodide Traditional Name: 1-adamantyl-[2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]oxyethyl]-dimethyl-ammonium iodide Formula: C25H36INO4 MolecularWeight: 541.46211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC(=O)C=CC1=CC(=C(C=C1)OC)OC)C23CC4CC(C2)CC(C4)C3.[I-]

Isomeric SMILES

C[N+](C)(CCOC(=O)/C=C/C1=CC(=C(C=C1)OC)OC)C23CC4CC(C2)CC(C4)C3.[I-]

InChI

InChI=1S/C25H36NO4.HI/c1-26(2,25-15-19-11-20(16-25)13-21(12-19)17-25)9-10-30-24(27)8-6-18-5-7-22(28-3)23(14-18)29-4;/h5-8,14,19-21H,9-13,15-17H2,1-4H3;1H/q+1;/p-1/b8-6+;