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

Systemtic Name: 1-adamantyl-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[2-(2-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=CC=C2Cl)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

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