1-(1-adamantyl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium chloride

Systemtic Name: 1-(1-adamantyl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium chloride Openeye Name: 1-(1-adamantyl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium chloride CAS Name: 1-(1-adamantyl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium chloride IUPAC Name: 1-(1-adamantyl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium chloride Traditional Name: 1-(1-adamantyl)ethyl-(3,4,5-trimethoxybenzyl)ammonium chloride Formula: C22H34ClNO3 MolecularWeight: 395.96326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=C(C(=C4)OC)OC)OC.[Cl-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=C(C(=C4)OC)OC)OC.[Cl-]

InChI

InChI=1S/C22H33NO3.ClH/c1-14(22-10-15-5-16(11-22)7-17(6-15)12-22)23-13-18-8-19(24-2)21(26-4)20(9-18)25-3;/h8-9,14-17,23H,5-7,10-13H2,1-4H3;1H