[(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-2-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(2-benzyloxy-3-ethoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(2-benzoxy-3-ethoxy-benzyl)ammonium Formula: C28H38NO2+ MolecularWeight: 420.60682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]C(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+][C@H](C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H37NO2/c1-3-30-26-11-7-10-25(27(26)31-19-21-8-5-4-6-9-21)18-29-20(2)28-15-22-12-23(16-28)14-24(13-22)17-28/h4-11,20,22-24,29H,3,12-19H2,1-2H3/p+1/t20-,22?,23?,24?,28?/m1/s1