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

Systemtic Name: 1-adamantyl-[(5-bromanyl-2-ethoxy-3-methoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(5-bromo-2-ethoxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(5-bromo-2-ethoxy-3-methoxy-benzyl)ammonium Formula: C20H29BrNO2+ MolecularWeight: 395.35376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OC

InChI

InChI=1S/C20H28BrNO2/c1-3-24-19-16(7-17(21)8-18(19)23-2)12-22-20-9-13-4-14(10-20)6-15(5-13)11-20/h7-8,13-15,22H,3-6,9-12H2,1-2H3/p+1