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

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

Systemtic Name:2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]azanium
Openeye Name:2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium
CAS Name:2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium
IUPAC Name:2-adamantyl-[(2,3,4-trimethoxyphenyl)methyl]azanium
Traditional Name:2-adamantyl-(2,3,4-trimethoxybenzyl)ammonium
Formula: C20H30NO3+
MolecularWeight: 332.4571
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H29NO3/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/p+1


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