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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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