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

Systemtic Name: 2-adamantyl-[[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: 2-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+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=CC=C5Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=CC=C5Cl

InChI

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