1-adamantyl-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: 1-adamantyl-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]ammonium Formula: C24H30ClN2O2+ MolecularWeight: 413.9602

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=CN=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O2/c1-28-22-9-16(2-4-21(22)29-15-17-3-5-23(25)26-13-17)14-27-24-10-18-6-19(11-24)8-20(7-18)12-24/h2-5,9,13,18-20,27H,6-8,10-12,14-15H2,1H3/p+1