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2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]azanium chloride

2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]azanium chloride

Systemtic Name:2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]azanium chloride
Openeye Name:2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium chloride
CAS Name:2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium chloride
IUPAC Name:2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]azanium chloride
Traditional Name:2-adamantyl-(2,3,4-trimethoxybenzyl)ammonium chloride
Formula: C20H30ClNO3
MolecularWeight: 367.9101
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OC)OC.[Cl-]


Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OC)OC.[Cl-]


InChI

InChI=1S/C20H29NO3.ClH/c1-22-17-5-4-14(19(23-2)20(17)24-3)11-21-18-15-7-12-6-13(9-15)10-16(18)8-12;/h4-5,12-13,15-16,18,21H,6-11H2,1-3H3;1H


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