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

Systemtic Name: 1-adamantyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: 1-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+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5Cl

InChI

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