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

Systemtic Name: 1-adamantyl-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]azanium Traditional Name: 1-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+]C23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=C(C=C5)Cl

InChI

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