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

Systemtic Name: 1-adamantyl-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]ammonium Formula: C25H30BrClNO2+ MolecularWeight: 491.8682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H29BrClNO2/c1-29-23-10-20(9-22(26)24(23)30-15-16-2-4-21(27)5-3-16)14-28-25-11-17-6-18(12-25)8-19(7-17)13-25/h2-5,9-10,17-19,28H,6-8,11-15H2,1H3/p+1