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

Systemtic Name: 2-adamantyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: 2-adamantyl-[4-(2-chlorobenzyl)oxy-3-ethoxy-benzyl]ammonium Formula: C26H33ClNO2+ MolecularWeight: 426.99872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC5=CC=CC=C5Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC5=CC=CC=C5Cl

InChI

InChI=1S/C26H32ClNO2/c1-2-29-25-14-17(7-8-24(25)30-16-20-5-3-4-6-23(20)27)15-28-26-21-10-18-9-19(12-21)13-22(26)11-18/h3-8,14,18-19,21-22,26,28H,2,9-13,15-16H2,1H3/p+1