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2-adamantyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium

2-adamantyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name:2-adamantyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium
Openeye Name:2-adamantyl-[(4-benzyloxy-3-methoxy-phenyl)methyl]ammonium
CAS Name:2-adamantyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ammonium
IUPAC Name:2-adamantyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]azanium
Traditional Name:2-adamantyl-(4-benzoxy-3-methoxy-benzyl)ammonium
Formula: C25H32NO2+
MolecularWeight: 378.52708
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC5=CC=CC=C5


Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC5=CC=CC=C5


InChI

InChI=1S/C25H31NO2/c1-27-24-14-18(7-8-23(24)28-16-17-5-3-2-4-6-17)15-26-25-21-10-19-9-20(12-21)13-22(25)11-19/h2-8,14,19-22,25-26H,9-13,15-16H2,1H3/p+1


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