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

Systemtic Name: 1-adamantyl-[[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-bromo-4-(2-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=CC=C5Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=CC=C5Cl

InChI

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