1-adamantyl-[(2,4-dimethoxyphenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(2,4-dimethoxyphenyl)methyl]azanium Openeye Name: 1-adamantyl-[(2,4-dimethoxyphenyl)methyl]ammonium CAS Name: 1-adamantyl-[(2,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(2,4-dimethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(2,4-dimethoxybenzyl)ammonium Formula: C19H28NO2+ MolecularWeight: 302.43112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C19H27NO2/c1-21-17-4-3-16(18(8-17)22-2)12-20-19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,13-15,20H,5-7,9-12H2,1-2H3/p+1