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

Systemtic Name: 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-adamantyl-[2-(4-chlorobenzyl)oxy-3-methoxy-benzyl]ammonium Formula: C25H31ClNO2+ MolecularWeight: 412.97214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)C[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)C[NH2+]C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H30ClNO2/c1-28-23-4-2-3-19(25(23)29-15-16-5-7-22(26)8-6-16)14-27-24-20-10-17-9-18(12-20)13-21(24)11-17/h2-8,17-18,20-21,24,27H,9-15H2,1H3/p+1