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

Systemtic Name: 1-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1-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+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

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