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

Systemtic Name: 2-adamantyl-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-bromo-4-(4-chlorobenzyl)oxy-5-ethoxy-benzyl]ammonium Formula: C26H32BrClNO2+ MolecularWeight: 505.89478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H31BrClNO2/c1-2-30-24-13-19(12-23(27)26(24)31-15-16-3-5-22(28)6-4-16)14-29-25-20-8-17-7-18(10-20)11-21(25)9-17/h3-6,12-13,17-18,20-21,25,29H,2,7-11,14-15H2,1H3/p+1