1-adamantyl-[[2-bromanyl-5-ethoxy-4-(2-hydroxyethyloxy)phenyl]methyl]azanium

Systemtic Name: 1-adamantyl-[[2-bromanyl-5-ethoxy-4-(2-hydroxyethyloxy)phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[2-bromo-5-ethoxy-4-(2-hydroxyethoxy)phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[2-bromo-5-ethoxy-4-(2-hydroxyethoxy)phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-bromo-5-ethoxy-4-(2-hydroxyethoxy)phenyl]methyl]azanium Traditional Name: 1-adamantyl-[2-bromo-5-ethoxy-4-(2-hydroxyethoxy)benzyl]ammonium Formula: C21H31BrNO3+ MolecularWeight: 425.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCCO

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCCO

InChI

InChI=1S/C21H30BrNO3/c1-2-25-19-8-17(18(22)9-20(19)26-4-3-24)13-23-21-10-14-5-15(11-21)7-16(6-14)12-21/h8-9,14-16,23-24H,2-7,10-13H2,1H3/p+1