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

Systemtic Name: 2-adamantyl-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-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+]C2C3CC4CC(C3)CC2C4)OCC5=CN=C(C=C5)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC5=CN=C(C=C5)Cl

InChI

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