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

Systemtic Name: 2-adamantyl-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-adamantyl-[4-(4-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+]C2C3CC4CC(C3)CC2C4)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

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