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

Systemtic Name: 2-adamantyl-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: 2-adamantyl-(3-bromo-5-ethoxy-4-methoxy-benzyl)ammonium Formula: C20H29BrNO2+ MolecularWeight: 395.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OC

InChI

InChI=1S/C20H28BrNO2/c1-3-24-18-10-14(9-17(21)20(18)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