2-adamantyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: 2-adamantyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: 2-adamantyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: 2-adamantyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: 2-adamantyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: 2-adamantyl(homoveratryl)ammonium Formula: C20H30NO2+ MolecularWeight: 316.4577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]C2C3CC4CC(C3)CC2C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]C2C3CC4CC(C3)CC2C4)OC

InChI

InChI=1S/C20H29NO2/c1-22-18-4-3-13(12-19(18)23-2)5-6-21-20-16-8-14-7-15(10-16)11-17(20)9-14/h3-4,12,14-17,20-21H,5-11H2,1-2H3/p+1