[(3R,5S)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-prop-2-enoxy-phenyl)methyl]azanium

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: (4-allyloxy-3-ethoxy-phenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxy-3-ethoxy-benzyl)-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium Formula: C24H36NO2+ MolecularWeight: 370.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)(CC(C4)(C3)C)C)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)OCC=C

InChI

InChI=1S/C24H35NO2/c1-5-9-27-20-8-7-18(10-21(20)26-6-2)14-25-24-13-19-11-22(3,16-24)15-23(4,12-19)17-24/h5,7-8,10,19,25H,1,6,9,11-17H2,2-4H3/p+1/t19?,22-,23+,24?