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2-adamantyl-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]azanium

2-adamantyl-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]azanium

Systemtic Name:2-adamantyl-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]azanium
Openeye Name:2-adamantyl-[(3-chloro-4-ethoxy-5-methoxy-phenyl)methyl]ammonium
CAS Name:2-adamantyl-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]ammonium
IUPAC Name:2-adamantyl-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]azanium
Traditional Name:2-adamantyl-(3-chloro-4-ethoxy-5-methoxy-benzyl)ammonium
Formula: C20H29ClNO2+
MolecularWeight: 350.90276
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C[NH2+]C2C3CC4CC(C3)CC2C4)OC


Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C[NH2+]C2C3CC4CC(C3)CC2C4)OC


InChI

InChI=1S/C20H28ClNO2/c1-3-24-20-17(21)9-14(10-18(20)23-2)11-22-19-15-5-12-4-13(7-15)8-16(19)6-12/h9-10,12-13,15-16,19,22H,3-8,11H2,1-2H3/p+1


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