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

Systemtic Name: 1-adamantyl-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyl]ammonium Formula: C25H31ClNO2+ MolecularWeight: 412.97214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=C(C=C5)Cl

InChI

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