[(3S,5R)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-ethoxy-phenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium Formula: C28H38NO2+ MolecularWeight: 420.60682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)(CC(C4)(C3)C)C)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)OCC5=CC=CC=C5

InChI

InChI=1S/C28H37NO2/c1-4-30-25-12-22(10-11-24(25)31-17-21-8-6-5-7-9-21)16-29-28-15-23-13-26(2,19-28)18-27(3,14-23)20-28/h5-12,23,29H,4,13-20H2,1-3H3/p+1/t23?,26-,27+,28?